3,4-difluoropent-1-ene

C5H8F2 — CID 13356677

IUPAC3,4-difluoropent-1-ene
SMILESC=CC(F)C(C)F
InChIInChI=1S/C5H8F2/c1-3-5(7)4(2)6/h3-5H,1H2,2H3
InChIKeyPDUAVXHHQYTUIZ-UHFFFAOYSA-N
MW106.11 g/mol
LogP1.87
Rot. Bonds2

About 3,4-difluoropent-1-ene

3,4-difluoropent-1-ene (PubChem CID 13356677) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 3,4-difluoropent-1-ene.

Molecular Properties

Compound Name3,4-difluoropent-1-ene
PubChem CID13356677
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name3,4-difluoropent-1-ene
SMILESC=CC(F)C(C)F
InChIInChI=1S/C5H8F2/c1-3-5(7)4(2)6/h3-5H,1H2,2H3
InChIKeyPDUAVXHHQYTUIZ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-difluoropent-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 3,4-difluoropent-1-ene?
The IUPAC name of 3,4-difluoropent-1-ene (CID 13356677) is 3,4-difluoropent-1-ene.
What is the SMILES notation for 3,4-difluoropent-1-ene?
The canonical SMILES for 3,4-difluoropent-1-ene is C=CC(F)C(C)F.
What is the InChIKey of 3,4-difluoropent-1-ene?
The InChIKey is PDUAVXHHQYTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-3-5(7)4(2)6/h3-5H,1H2,2H3.
What are the key properties of 3,4-difluoropent-1-ene?
3,4-difluoropent-1-ene has a molecular weight of 106.11 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoropent-1-ene is sourced from PubChem (CID 13356677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).