1-Bromo-2-chloro-1,1,2-trifluoroethane

C2HBrClF3 — CID 9628

IUPAC1-bromo-2-chloro-1,1,2-trifluoroethane
SMILESC(C(F)(F)Br)(F)Cl
InChIInChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H
InChIKeyKFTODZKBBUMDQB-UHFFFAOYSA-N
MW197.38 g/mol
LogP2.90
Rot. Bonds1

About 1-Bromo-2-chloro-1,1,2-trifluoroethane

1-Bromo-2-chloro-1,1,2-trifluoroethane (PubChem CID 9628) has the molecular formula C2HBrClF3 and a molecular weight of 197.38 g/mol. Its IUPAC name is 1-bromo-2-chloro-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-Bromo-2-chloro-1,1,2-trifluoroethane
PubChem CID9628
Molecular FormulaC2HBrClF3
Molecular Weight197.38 g/mol
Exact Mass195.89
IUPAC Name1-bromo-2-chloro-1,1,2-trifluoroethane
SMILESC(C(F)(F)Br)(F)Cl
InChIInChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H
InChIKeyKFTODZKBBUMDQB-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity66

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-Bromo-2-chloro-1,1,2-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Halothane
CID 3562
(R)-halothane
CID 445258
2-bromo-2-chloro-1,1,1-trifluoro(114C)ethane
CID 90674451
1,2-Dibromo-2-chloro-1,1-difluoroethane
CID 2736479
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
Deuterio-halothane
CID 22801281
Halothane hydrochloride
CID 129720166
Halothane hydrogen fluoride
CID 129729429
1-Chloro-1-bromo-1,2,2-trifluoroethane
CID 21698818

Frequently Asked Questions

What is the IUPAC name of 1-Bromo-2-chloro-1,1,2-trifluoroethane?
The IUPAC name of 1-Bromo-2-chloro-1,1,2-trifluoroethane (CID 9628) is 1-bromo-2-chloro-1,1,2-trifluoroethane.
What is the SMILES notation for 1-Bromo-2-chloro-1,1,2-trifluoroethane?
The canonical SMILES for 1-Bromo-2-chloro-1,1,2-trifluoroethane is C(C(F)(F)Br)(F)Cl.
What is the InChIKey of 1-Bromo-2-chloro-1,1,2-trifluoroethane?
The InChIKey is KFTODZKBBUMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H.
What are the key properties of 1-Bromo-2-chloro-1,1,2-trifluoroethane?
1-Bromo-2-chloro-1,1,2-trifluoroethane has a molecular weight of 197.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Bromo-2-chloro-1,1,2-trifluoroethane is sourced from PubChem (CID 9628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).