1,2,4-trifluorobut-2-ene

C4H5F3 — CID 54023751

IUPAC1,2,4-trifluorobut-2-ene
SMILESFCC=C(F)CF
InChIInChI=1S/C4H5F3/c5-2-1-4(7)3-6/h1H,2-3H2
InChIKeyLASJUSDQSZLNMZ-UHFFFAOYSA-N
MW110.08 g/mol
LogP1.78
Rot. Bonds2

About 1,2,4-trifluorobut-2-ene

1,2,4-trifluorobut-2-ene (PubChem CID 54023751) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 1,2,4-trifluorobut-2-ene.

Molecular Properties

Compound Name1,2,4-trifluorobut-2-ene
PubChem CID54023751
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name1,2,4-trifluorobut-2-ene
SMILESFCC=C(F)CF
InChIInChI=1S/C4H5F3/c5-2-1-4(7)3-6/h1H,2-3H2
InChIKeyLASJUSDQSZLNMZ-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trifluorobut-2-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 1,2,4-trifluorobut-2-ene?
The IUPAC name of 1,2,4-trifluorobut-2-ene (CID 54023751) is 1,2,4-trifluorobut-2-ene.
What is the SMILES notation for 1,2,4-trifluorobut-2-ene?
The canonical SMILES for 1,2,4-trifluorobut-2-ene is FCC=C(F)CF.
What is the InChIKey of 1,2,4-trifluorobut-2-ene?
The InChIKey is LASJUSDQSZLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c5-2-1-4(7)3-6/h1H,2-3H2.
What are the key properties of 1,2,4-trifluorobut-2-ene?
1,2,4-trifluorobut-2-ene has a molecular weight of 110.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluorobut-2-ene is sourced from PubChem (CID 54023751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).