1,1,1-trichloro-2,2,2-trifluoroethane

C2Cl3F3 — CID 9635

IUPAC1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8
InChIKeyBOSAWIQFTJIYIS-UHFFFAOYSA-N
MW187.38 g/mol
LogP2.92
Rot. Bonds

About 1,1,1-trichloro-2,2,2-trifluoroethane

1,1,1-trichloro-2,2,2-trifluoroethane (PubChem CID 9635) has the molecular formula C2Cl3F3 and a molecular weight of 187.38 g/mol. Its IUPAC name is 1,1,1-trichloro-2,2,2-trifluoroethane.

Molecular Properties

Compound Name1,1,1-trichloro-2,2,2-trifluoroethane
PubChem CID9635
Molecular FormulaC2Cl3F3
Molecular Weight187.38 g/mol
Exact Mass185.90
IUPAC Name1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8
InChIKeyBOSAWIQFTJIYIS-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.38
LogP ≤ 52.92
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

chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
trichloro(fluoro)methane;hydrochloride
CID 88794151
chloro(trifluoro)methane;hydrofluoride
CID 158114823
2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
CID 23236256

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-2,2,2-trifluoroethane?
The IUPAC name of 1,1,1-trichloro-2,2,2-trifluoroethane (CID 9635) is 1,1,1-trichloro-2,2,2-trifluoroethane.
What is the SMILES notation for 1,1,1-trichloro-2,2,2-trifluoroethane?
The canonical SMILES for 1,1,1-trichloro-2,2,2-trifluoroethane is FC(F)(F)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-2,2,2-trifluoroethane?
The InChIKey is BOSAWIQFTJIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8.
What are the key properties of 1,1,1-trichloro-2,2,2-trifluoroethane?
1,1,1-trichloro-2,2,2-trifluoroethane has a molecular weight of 187.38 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-2,2,2-trifluoroethane is sourced from PubChem (CID 9635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).