2-bromo-2-chloro-1,1,1-trifluoroethane

C2HBrClF3 — CID 3562

💊View drug profile → halothane
IUPAC2-bromo-2-chloro-1,1,1-trifluoroethane
SMILESFC(F)(F)C(Cl)Br
InChIInChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKeyBCQZXOMGPXTTIC-UHFFFAOYSA-N
MW197.38 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-2-chloro-1,1,1-trifluoroethane

2-bromo-2-chloro-1,1,1-trifluoroethane (PubChem CID 3562) has the molecular formula C2HBrClF3 and a molecular weight of 197.38 g/mol. Its IUPAC name is 2-bromo-2-chloro-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-bromo-2-chloro-1,1,1-trifluoroethane
PubChem CID3562
Molecular FormulaC2HBrClF3
Molecular Weight197.38 g/mol
Exact Mass195.89
IUPAC Name2-bromo-2-chloro-1,1,1-trifluoroethane
SMILESFC(F)(F)C(Cl)Br
InChIInChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKeyBCQZXOMGPXTTIC-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2-chloro-1,1,2-trifluoroethane
CID 9628
(R)-halothane
CID 445258
2-Bromo-1-chloro-1,1-difluoroethane
CID 3083566
2-bromo-2-chloro-1,1,1-trifluoro(114C)ethane
CID 90674451
1,2-Dibromo-2-chloro-1,1-difluoroethane
CID 2736479
2-Bromo-1-chloro-1,1,2-trifluoroethane
CID 3013856
2-Bromo-1,2-dichloro-1,1-difluoroethane
CID 20482283
1-Bromo-2-chloro-1,1-difluoro-ethane
CID 23233304
2-bromo-2-chloro-1-(18F)fluoro-1,1-difluoroethane
CID 450728
(S)-halothane
CID 4369439
1-Bromo-1-chloro-2,2-difluoroethane
CID 92757
2-Bromo-1-chloro-1-fluoroethane
CID 13299939

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chloro-1,1,1-trifluoroethane?
The IUPAC name of 2-bromo-2-chloro-1,1,1-trifluoroethane (CID 3562) is 2-bromo-2-chloro-1,1,1-trifluoroethane.
What is the SMILES notation for 2-bromo-2-chloro-1,1,1-trifluoroethane?
The canonical SMILES for 2-bromo-2-chloro-1,1,1-trifluoroethane is FC(F)(F)C(Cl)Br.
What is the InChIKey of 2-bromo-2-chloro-1,1,1-trifluoroethane?
The InChIKey is BCQZXOMGPXTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H.
What are the key properties of 2-bromo-2-chloro-1,1,1-trifluoroethane?
2-bromo-2-chloro-1,1,1-trifluoroethane has a molecular weight of 197.38 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-1,1,1-trifluoroethane is sourced from PubChem (CID 3562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).