3,5,5-trifluoropent-4-en-2-one

C5H5F3O — CID 87494793

IUPAC3,5,5-trifluoropent-4-en-2-one
SMILESCC(=O)C(F)C=C(F)F
InChIInChI=1S/C5H5F3O/c1-3(9)4(6)2-5(7)8/h2,4H,1H3
InChIKeyFXLCOMBZRHDQHH-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.69
Rot. Bonds2

About 3,5,5-trifluoropent-4-en-2-one

3,5,5-trifluoropent-4-en-2-one (PubChem CID 87494793) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 3,5,5-trifluoropent-4-en-2-one.

Molecular Properties

Compound Name3,5,5-trifluoropent-4-en-2-one
PubChem CID87494793
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name3,5,5-trifluoropent-4-en-2-one
SMILESCC(=O)C(F)C=C(F)F
InChIInChI=1S/C5H5F3O/c1-3(9)4(6)2-5(7)8/h2,4H,1H3
InChIKeyFXLCOMBZRHDQHH-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5,5-trifluoropent-4-en-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

Related Compounds

5,5,5-Trifluoropent-1-en-3-one
CID 12622108
1,1,2-Trifluoropent-1-en-3-one
CID 13697368
5,6,6-Trifluorohex-5-en-2-one
CID 10964690
6,6-Difluorohex-5-en-2-one
CID 45085439
4,4-Difluorohexa-1,5-dien-3-one
CID 54144679
4,4-Difluorohex-5-ene-2,3-dione
CID 58275620
4,5,5-Trifluoropent-4-en-2-one
CID 58818971
5,5,5-Trifluoro-1-penten-4-one
CID 62962421
2,3,3,5,5,6-Hexafluorohepta-1,6-dien-4-one
CID 87181987
1,1,3,5,7,7-Hexafluorohepta-1,6-dien-4-one
CID 87181989
(E)-5-fluoropent-4-en-2-one
CID 87633698
4,4-Difluorobut-3-en-2-one
CID 88853534

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trifluoropent-4-en-2-one?
The IUPAC name of 3,5,5-trifluoropent-4-en-2-one (CID 87494793) is 3,5,5-trifluoropent-4-en-2-one.
What is the SMILES notation for 3,5,5-trifluoropent-4-en-2-one?
The canonical SMILES for 3,5,5-trifluoropent-4-en-2-one is CC(=O)C(F)C=C(F)F.
What is the InChIKey of 3,5,5-trifluoropent-4-en-2-one?
The InChIKey is FXLCOMBZRHDQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-3(9)4(6)2-5(7)8/h2,4H,1H3.
What are the key properties of 3,5,5-trifluoropent-4-en-2-one?
3,5,5-trifluoropent-4-en-2-one has a molecular weight of 138.09 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trifluoropent-4-en-2-one is sourced from PubChem (CID 87494793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).