5-(2,2-difluoroethoxy)pent-1-en-3-one

C7H10F2O2 — CID 103147273

IUPAC5-(2,2-difluoroethoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(F)F
InChIInChI=1S/C7H10F2O2/c1-2-6(10)3-4-11-5-7(8)9/h2,7H,1,3-5H2
InChIKeyPHCYZYYCDFNFJJ-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.41
Rot. Bonds6

About 5-(2,2-difluoroethoxy)pent-1-en-3-one

5-(2,2-difluoroethoxy)pent-1-en-3-one (PubChem CID 103147273) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pent-1-en-3-one.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pent-1-en-3-one
PubChem CID103147273
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name5-(2,2-difluoroethoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(F)F
InChIInChI=1S/C7H10F2O2/c1-2-6(10)3-4-11-5-7(8)9/h2,7H,1,3-5H2
InChIKeyPHCYZYYCDFNFJJ-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(2,2-difluoroethoxy)pent-1-en-3-one 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 5-(2,2-difluoroethoxy)pent-1-en-3-one?
The IUPAC name of 5-(2,2-difluoroethoxy)pent-1-en-3-one (CID 103147273) is 5-(2,2-difluoroethoxy)pent-1-en-3-one.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pent-1-en-3-one?
The canonical SMILES for 5-(2,2-difluoroethoxy)pent-1-en-3-one is C=CC(=O)CCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)pent-1-en-3-one?
The InChIKey is PHCYZYYCDFNFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-2-6(10)3-4-11-5-7(8)9/h2,7H,1,3-5H2.
What are the key properties of 5-(2,2-difluoroethoxy)pent-1-en-3-one?
5-(2,2-difluoroethoxy)pent-1-en-3-one has a molecular weight of 164.15 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pent-1-en-3-one is sourced from PubChem (CID 103147273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).