1-chloro-1,2,2-trifluoroethene

C4Cl2F6 — CID 141146844

IUPAC1-chloro-1,2,2-trifluoroethene
SMILESFC(F)=C(F)Cl.FC(F)=C(F)Cl
InChIInChI=1S/2C2ClF3/c2*3-1(4)2(5)6
InChIKeyNCBNXWODWXQULL-UHFFFAOYSA-N
MW232.94 g/mol
LogP4.52
Rot. Bonds

About 1-chloro-1,2,2-trifluoroethene

1-chloro-1,2,2-trifluoroethene (PubChem CID 141146844) has the molecular formula C4Cl2F6 and a molecular weight of 232.94 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-chloro-1,2,2-trifluoroethene
PubChem CID141146844
Molecular FormulaC4Cl2F6
Molecular Weight232.94 g/mol
Exact Mass231.93
IUPAC Name1-chloro-1,2,2-trifluoroethene
SMILESFC(F)=C(F)Cl.FC(F)=C(F)Cl
InChIInChI=1S/2C2ClF3/c2*3-1(4)2(5)6
InChIKeyNCBNXWODWXQULL-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.94
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2-trifluoroethene?
The IUPAC name of 1-chloro-1,2,2-trifluoroethene (CID 141146844) is 1-chloro-1,2,2-trifluoroethene.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethene?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethene is FC(F)=C(F)Cl.FC(F)=C(F)Cl.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethene?
The InChIKey is NCBNXWODWXQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2ClF3/c2*3-1(4)2(5)6.
What are the key properties of 1-chloro-1,2,2-trifluoroethene?
1-chloro-1,2,2-trifluoroethene has a molecular weight of 232.94 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trifluoroethene is sourced from PubChem (CID 141146844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).