Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:49646 - (
R
)-halothane
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
R
)-halothane
ChEBI ID
CHEBI:49646
ChEBI ASCII Name
(R)-halothane
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:49645, CHEBI:32895
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C2HBrClF3
Net Charge
0
Average Mass
197.38125
Monoisotopic Mass
195.89022
InChI
InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1
InChIKey
BCQZXOMGPXTTIC-SFOWXEAESA-N
SMILES
FC(F)(F)[C@H](Cl)Br
Roles Classification
Application
(s):
inhalation anaesthetic
(via
halothane
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-halothane (
CHEBI:49646
)
is a
halothane (
CHEBI:5615
)
(
R
)-halothane (
CHEBI:49646
)
is enantiomer of
(
S
)-halothane (
CHEBI:36065
)
Incoming
(
S
)-halothane (
CHEBI:36065
)
is enantiomer of
(
R
)-halothane (
CHEBI:49646
)
IUPAC Name
(2
R
)-2-bromo-2-chloro-1,1,1-trifluoroethane
Synonym
Source
2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
PDBeChem
Manual Xref
Database
HLT
PDBeChem
View more database links
Registry Number
Type
Source
9997985
Beilstein Registry Number
Beilstein
Last Modified
16 May 2008