3,3,4,5,5-pentafluoropent-4-enoic acid

C5H3F5O2 — CID 19862302

IUPAC3,3,4,5,5-pentafluoropent-4-enoic acid
SMILESO=C(O)CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C5H3F5O2/c6-3(4(7)8)5(9,10)1-2(11)12/h1H2,(H,11,12)
InChIKeyHQRHGBGBNHCBPZ-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.17
Rot. Bonds3

About 3,3,4,5,5-pentafluoropent-4-enoic acid

3,3,4,5,5-pentafluoropent-4-enoic acid (PubChem CID 19862302) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 3,3,4,5,5-pentafluoropent-4-enoic acid.

Molecular Properties

Compound Name3,3,4,5,5-pentafluoropent-4-enoic acid
PubChem CID19862302
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name3,3,4,5,5-pentafluoropent-4-enoic acid
SMILESO=C(O)CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C5H3F5O2/c6-3(4(7)8)5(9,10)1-2(11)12/h1H2,(H,11,12)
InChIKeyHQRHGBGBNHCBPZ-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,4,5,5-pentafluoropent-4-enoic acid 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 3,3,4,5,5-pentafluoropent-4-enoic acid?
The IUPAC name of 3,3,4,5,5-pentafluoropent-4-enoic acid (CID 19862302) is 3,3,4,5,5-pentafluoropent-4-enoic acid.
What is the SMILES notation for 3,3,4,5,5-pentafluoropent-4-enoic acid?
The canonical SMILES for 3,3,4,5,5-pentafluoropent-4-enoic acid is O=C(O)CC(F)(F)C(F)=C(F)F.
What is the InChIKey of 3,3,4,5,5-pentafluoropent-4-enoic acid?
The InChIKey is HQRHGBGBNHCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c6-3(4(7)8)5(9,10)1-2(11)12/h1H2,(H,11,12).
What are the key properties of 3,3,4,5,5-pentafluoropent-4-enoic acid?
3,3,4,5,5-pentafluoropent-4-enoic acid has a molecular weight of 190.07 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentafluoropent-4-enoic acid is sourced from PubChem (CID 19862302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).