1,1,2-trifluorohex-1-ene

C6H9F3 — CID 10844440

IUPAC1,1,2-trifluorohex-1-ene
SMILESCCCCC(F)=C(F)F
InChIInChI=1S/C6H9F3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3
InChIKeyDOFGRVNGXJLKHG-UHFFFAOYSA-N
MW138.13 g/mol
LogP3.25
Rot. Bonds3

About 1,1,2-trifluorohex-1-ene

1,1,2-trifluorohex-1-ene (PubChem CID 10844440) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,1,2-trifluorohex-1-ene.

Molecular Properties

Compound Name1,1,2-trifluorohex-1-ene
PubChem CID10844440
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name1,1,2-trifluorohex-1-ene
SMILESCCCCC(F)=C(F)F
InChIInChI=1S/C6H9F3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3
InChIKeyDOFGRVNGXJLKHG-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,2-trifluorohex-1-ene 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 1,1,2-trifluorohex-1-ene?
The IUPAC name of 1,1,2-trifluorohex-1-ene (CID 10844440) is 1,1,2-trifluorohex-1-ene.
What is the SMILES notation for 1,1,2-trifluorohex-1-ene?
The canonical SMILES for 1,1,2-trifluorohex-1-ene is CCCCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluorohex-1-ene?
The InChIKey is DOFGRVNGXJLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3.
What are the key properties of 1,1,2-trifluorohex-1-ene?
1,1,2-trifluorohex-1-ene has a molecular weight of 138.13 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorohex-1-ene is sourced from PubChem (CID 10844440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).