(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid

C5H5F3O3 — CID 10855909

IUPAC(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid
SMILESO=C(O)/C=C/C(O)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-3,9H,(H,10,11)/b2-1+
InChIKeySJAXLYVGOPMRBS-OWOJBTEDSA-N
MW170.09 g/mol
LogP0.55
Rot. Bonds2

About (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid

(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid (PubChem CID 10855909) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid
PubChem CID10855909
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid
SMILESO=C(O)/C=C/C(O)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-3,9H,(H,10,11)/b2-1+
InChIKeySJAXLYVGOPMRBS-OWOJBTEDSA-N
XLogP0.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5,5,5-trifluoro-4-hydroxypent-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

Related Compounds

5,5,5-trifluoro-4-(trifluoromethyl)pent-2-enoic acid
CID 57006239
(2E,4S,5R,6E)-4,5-dihydroxyocta-2,6-dienedioic acid
CID 165355300
(2E,5E)-4-[(E)-2-carboxyethenyl]hepta-2,5-dienedioic acid
CID 59008552
(E)-4-bromo-4-hydroxybut-2-enoic acid
CID 21430697
(E)-4-fluoropent-2-enoic acid
CID 87509994
4,4-dibromobut-2-enoic acid
CID 175534024
4,4,4-trifluorobut-1-ene-1,1,3-triol
CID 154636532
4-hydroxy-4-sulfinobut-2-enoic acid
CID 90825459
(E)-3-(1,1,1-trifluoropropan-2-ylamino)prop-2-enoic acid
CID 131242265
4-ethylhepta-2,5-dienedioic acid
CID 54361689
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid?
The IUPAC name of (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid (CID 10855909) is (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid.
What is the SMILES notation for (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid?
The canonical SMILES for (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid is O=C(O)/C=C/C(O)C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid?
The InChIKey is SJAXLYVGOPMRBS-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-3,9H,(H,10,11)/b2-1+.
What are the key properties of (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid?
(E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid has a molecular weight of 170.09 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-4-hydroxypent-2-enoic acid is sourced from PubChem (CID 10855909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).