1,1,1-trifluoroethane trichloride

C2H3Cl3F3-3 — CID 159910186

IUPAC1,1,1-trifluoroethane trichloride
SMILESCC(F)(F)F.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H3F3.3ClH/c1-2(3,4)5;;;/h1H3;3*1H/p-3
InChIKeyNXBYEEONWHWXQW-UHFFFAOYSA-K
MW190.40 g/mol
LogP-7.42
Rot. Bonds

About 1,1,1-trifluoroethane trichloride

1,1,1-trifluoroethane trichloride (PubChem CID 159910186) has the molecular formula C2H3Cl3F3-3 and a molecular weight of 190.40 g/mol. Its IUPAC name is 1,1,1-trifluoroethane trichloride.

Molecular Properties

Compound Name1,1,1-trifluoroethane trichloride
PubChem CID159910186
Molecular FormulaC2H3Cl3F3-3
Molecular Weight190.40 g/mol
Exact Mass188.93
IUPAC Name1,1,1-trifluoroethane trichloride
SMILESCC(F)(F)F.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H3F3.3ClH/c1-2(3,4)5;;;/h1H3;3*1H/p-3
InChIKeyNXBYEEONWHWXQW-UHFFFAOYSA-K
XLogP-7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.40
LogP ≤ 5-7.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoroethane trichloride?
The IUPAC name of 1,1,1-trifluoroethane trichloride (CID 159910186) is 1,1,1-trifluoroethane trichloride.
What is the SMILES notation for 1,1,1-trifluoroethane trichloride?
The canonical SMILES for 1,1,1-trifluoroethane trichloride is CC(F)(F)F.[Cl-].[Cl-].[Cl-].
What is the InChIKey of 1,1,1-trifluoroethane trichloride?
The InChIKey is NXBYEEONWHWXQW-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H3F3.3ClH/c1-2(3,4)5;;;/h1H3;3*1H/p-3.
What are the key properties of 1,1,1-trifluoroethane trichloride?
1,1,1-trifluoroethane trichloride has a molecular weight of 190.40 g/mol, XLogP of -7.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroethane trichloride is sourced from PubChem (CID 159910186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).