3-chloro-1,2,3-trifluorocyclohexene

C6H6ClF3 — CID 146018383

IUPAC3-chloro-1,2,3-trifluorocyclohexene
SMILESFC1=C(F)C(F)(Cl)CCC1
InChIInChI=1S/C6H6ClF3/c7-6(10)3-1-2-4(8)5(6)9/h1-3H2
InChIKeyUOWOUYINDLXMAY-UHFFFAOYSA-N
MW170.56 g/mol
LogP3.23
Rot. Bonds

About 3-chloro-1,2,3-trifluorocyclohexene

3-chloro-1,2,3-trifluorocyclohexene (PubChem CID 146018383) has the molecular formula C6H6ClF3 and a molecular weight of 170.56 g/mol. Its IUPAC name is 3-chloro-1,2,3-trifluorocyclohexene.

Molecular Properties

Compound Name3-chloro-1,2,3-trifluorocyclohexene
PubChem CID146018383
Molecular FormulaC6H6ClF3
Molecular Weight170.56 g/mol
Exact Mass170.01
IUPAC Name3-chloro-1,2,3-trifluorocyclohexene
SMILESFC1=C(F)C(F)(Cl)CCC1
InChIInChI=1S/C6H6ClF3/c7-6(10)3-1-2-4(8)5(6)9/h1-3H2
InChIKeyUOWOUYINDLXMAY-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-1,2,3-trifluorocyclohexene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,3-trifluorocyclohexene?
The IUPAC name of 3-chloro-1,2,3-trifluorocyclohexene (CID 146018383) is 3-chloro-1,2,3-trifluorocyclohexene.
What is the SMILES notation for 3-chloro-1,2,3-trifluorocyclohexene?
The canonical SMILES for 3-chloro-1,2,3-trifluorocyclohexene is FC1=C(F)C(F)(Cl)CCC1.
What is the InChIKey of 3-chloro-1,2,3-trifluorocyclohexene?
The InChIKey is UOWOUYINDLXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3/c7-6(10)3-1-2-4(8)5(6)9/h1-3H2.
What are the key properties of 3-chloro-1,2,3-trifluorocyclohexene?
3-chloro-1,2,3-trifluorocyclohexene has a molecular weight of 170.56 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,3-trifluorocyclohexene is sourced from PubChem (CID 146018383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).