1,1,1,3-tetrafluoropenta-3,4-dien-2-one

C5H2F4O — CID 174721081

IUPAC1,1,1,3-tetrafluoropenta-3,4-dien-2-one
SMILESC=C=C(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H2F4O/c1-2-3(6)4(10)5(7,8)9/h1H2
InChIKeyATZRSPRTHIOABI-UHFFFAOYSA-N
MW154.06 g/mol
LogP1.76
Rot. Bonds1

About 1,1,1,3-tetrafluoropenta-3,4-dien-2-one

1,1,1,3-tetrafluoropenta-3,4-dien-2-one (PubChem CID 174721081) has the molecular formula C5H2F4O and a molecular weight of 154.06 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoropenta-3,4-dien-2-one.

Molecular Properties

Compound Name1,1,1,3-tetrafluoropenta-3,4-dien-2-one
PubChem CID174721081
Molecular FormulaC5H2F4O
Molecular Weight154.06 g/mol
Exact Mass154.00
IUPAC Name1,1,1,3-tetrafluoropenta-3,4-dien-2-one
SMILESC=C=C(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H2F4O/c1-2-3(6)4(10)5(7,8)9/h1H2
InChIKeyATZRSPRTHIOABI-UHFFFAOYSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.06
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,3-tetrafluoropenta-3,4-dien-2-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 1,1,1,3-tetrafluoropenta-3,4-dien-2-one?
The IUPAC name of 1,1,1,3-tetrafluoropenta-3,4-dien-2-one (CID 174721081) is 1,1,1,3-tetrafluoropenta-3,4-dien-2-one.
What is the SMILES notation for 1,1,1,3-tetrafluoropenta-3,4-dien-2-one?
The canonical SMILES for 1,1,1,3-tetrafluoropenta-3,4-dien-2-one is C=C=C(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoropenta-3,4-dien-2-one?
The InChIKey is ATZRSPRTHIOABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4O/c1-2-3(6)4(10)5(7,8)9/h1H2.
What are the key properties of 1,1,1,3-tetrafluoropenta-3,4-dien-2-one?
1,1,1,3-tetrafluoropenta-3,4-dien-2-one has a molecular weight of 154.06 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoropenta-3,4-dien-2-one is sourced from PubChem (CID 174721081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).