4,4-difluoro-3-methoxypenta-1,2-diene

C6H8F2O — CID 143721724

IUPAC4,4-difluoro-3-methoxypenta-1,2-diene
SMILESC=C=C(OC)C(C)(F)F
InChIInChI=1S/C6H8F2O/c1-4-5(9-3)6(2,7)8/h1H2,2-3H3
InChIKeyQAVMFNZRGZUQQY-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.96
Rot. Bonds2

About 4,4-difluoro-3-methoxypenta-1,2-diene

4,4-difluoro-3-methoxypenta-1,2-diene (PubChem CID 143721724) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 4,4-difluoro-3-methoxypenta-1,2-diene.

Molecular Properties

Compound Name4,4-difluoro-3-methoxypenta-1,2-diene
PubChem CID143721724
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name4,4-difluoro-3-methoxypenta-1,2-diene
SMILESC=C=C(OC)C(C)(F)F
InChIInChI=1S/C6H8F2O/c1-4-5(9-3)6(2,7)8/h1H2,2-3H3
InChIKeyQAVMFNZRGZUQQY-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4,4-difluoro-3-methoxypenta-1,2-diene 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-3-methoxypenta-1,2-diene?
The IUPAC name of 4,4-difluoro-3-methoxypenta-1,2-diene (CID 143721724) is 4,4-difluoro-3-methoxypenta-1,2-diene.
What is the SMILES notation for 4,4-difluoro-3-methoxypenta-1,2-diene?
The canonical SMILES for 4,4-difluoro-3-methoxypenta-1,2-diene is C=C=C(OC)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-3-methoxypenta-1,2-diene?
The InChIKey is QAVMFNZRGZUQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-4-5(9-3)6(2,7)8/h1H2,2-3H3.
What are the key properties of 4,4-difluoro-3-methoxypenta-1,2-diene?
4,4-difluoro-3-methoxypenta-1,2-diene has a molecular weight of 134.12 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methoxypenta-1,2-diene is sourced from PubChem (CID 143721724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).