2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane

C4H5Cl3F4 — CID 157357085

IUPAC2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
SMILESFC(Cl)CCl.FC(F)(F)CCl
InChIInChI=1S/C2H3Cl2F.C2H2ClF3/c3-1-2(4)5;3-1-2(4,5)6/h2H,1H2;1H2
InChIKeyBIFFUESWUUZPAW-UHFFFAOYSA-N
MW235.43 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane

2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane (PubChem CID 157357085) has the molecular formula C4H5Cl3F4 and a molecular weight of 235.43 g/mol. Its IUPAC name is 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane.

Molecular Properties

Compound Name2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
PubChem CID157357085
Molecular FormulaC4H5Cl3F4
Molecular Weight235.43 g/mol
Exact Mass233.94
IUPAC Name2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
SMILESFC(Cl)CCl.FC(F)(F)CCl
InChIInChI=1S/C2H3Cl2F.C2H2ClF3/c3-1-2(4)5;3-1-2(4,5)6/h2H,1H2;1H2
InChIKeyBIFFUESWUUZPAW-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane 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

2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
4-chloro-1,1,1,3-tetrafluorobutane
CID 174723522
2,4-dichloro-1,1,1,3-tetrafluorobutane
CID 54422561
3-chloro-1,1,1,2-tetrafluoropropane
CID 166072722
1,2,3,4-tetrachlorobutane
CID 155672172
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane
CID 159624580
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
2-bromo-1-chloro-1-fluoroethane
CID 13299939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane?
The IUPAC name of 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane (CID 157357085) is 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane.
What is the SMILES notation for 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane?
The canonical SMILES for 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane is FC(Cl)CCl.FC(F)(F)CCl.
What is the InChIKey of 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane?
The InChIKey is BIFFUESWUUZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2F.C2H2ClF3/c3-1-2(4)5;3-1-2(4,5)6/h2H,1H2;1H2.
What are the key properties of 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane?
2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane has a molecular weight of 235.43 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane is sourced from PubChem (CID 157357085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).