(E)-5,5,5-trifluoropent-2-enoic acid

C5H5F3O2 — CID 55296417

IUPAC(E)-5,5,5-trifluoropent-2-enoic acid
SMILESO=C(O)/C=C/CC(F)(F)F
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H,9,10)/b2-1+
InChIKeyDNJNMLSOKFTGMW-OWOJBTEDSA-N
MW154.09 g/mol
LogP1.58
Rot. Bonds2

About (E)-5,5,5-trifluoropent-2-enoic acid

(E)-5,5,5-trifluoropent-2-enoic acid (PubChem CID 55296417) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is (E)-5,5,5-trifluoropent-2-enoic acid.

Molecular Properties

Compound Name(E)-5,5,5-trifluoropent-2-enoic acid
PubChem CID55296417
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name(E)-5,5,5-trifluoropent-2-enoic acid
SMILESO=C(O)/C=C/CC(F)(F)F
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H,9,10)/b2-1+
InChIKeyDNJNMLSOKFTGMW-OWOJBTEDSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5,5,5-trifluoropent-2-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 (E)-5,5,5-trifluoropent-2-enoic acid?
The IUPAC name of (E)-5,5,5-trifluoropent-2-enoic acid (CID 55296417) is (E)-5,5,5-trifluoropent-2-enoic acid.
What is the SMILES notation for (E)-5,5,5-trifluoropent-2-enoic acid?
The canonical SMILES for (E)-5,5,5-trifluoropent-2-enoic acid is O=C(O)/C=C/CC(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoropent-2-enoic acid?
The InChIKey is DNJNMLSOKFTGMW-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H,9,10)/b2-1+.
What are the key properties of (E)-5,5,5-trifluoropent-2-enoic acid?
(E)-5,5,5-trifluoropent-2-enoic acid has a molecular weight of 154.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoropent-2-enoic acid is sourced from PubChem (CID 55296417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).