4,4-difluoro-6-methylhept-1-ene

C8H14F2 — CID 20782682

IUPAC4,4-difluoro-6-methylhept-1-ene
SMILESC=CCC(F)(F)CC(C)C
InChIInChI=1S/C8H14F2/c1-4-5-8(9,10)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyIXGQUDWACPZYME-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.24
Rot. Bonds4

About 4,4-difluoro-6-methylhept-1-ene

4,4-difluoro-6-methylhept-1-ene (PubChem CID 20782682) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 4,4-difluoro-6-methylhept-1-ene.

Molecular Properties

Compound Name4,4-difluoro-6-methylhept-1-ene
PubChem CID20782682
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name4,4-difluoro-6-methylhept-1-ene
SMILESC=CCC(F)(F)CC(C)C
InChIInChI=1S/C8H14F2/c1-4-5-8(9,10)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyIXGQUDWACPZYME-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-6-methylhept-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 4,4-difluoro-6-methylhept-1-ene?
The IUPAC name of 4,4-difluoro-6-methylhept-1-ene (CID 20782682) is 4,4-difluoro-6-methylhept-1-ene.
What is the SMILES notation for 4,4-difluoro-6-methylhept-1-ene?
The canonical SMILES for 4,4-difluoro-6-methylhept-1-ene is C=CCC(F)(F)CC(C)C.
What is the InChIKey of 4,4-difluoro-6-methylhept-1-ene?
The InChIKey is IXGQUDWACPZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-4-5-8(9,10)6-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4,4-difluoro-6-methylhept-1-ene?
4,4-difluoro-6-methylhept-1-ene has a molecular weight of 148.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methylhept-1-ene is sourced from PubChem (CID 20782682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).