(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid

C12H18F3NO3 — CID 172931278

IUPAC(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
SMILESO=C(O)CCC/C(=N\O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-6-4-8(5-7-9)10(16-19)2-1-3-11(17)18/h8-9,19H,1-7H2,(H,17,18)/b16-10+
InChIKeyXEUNSHBIYDTFOL-MHWRWJLKSA-N
MW281.27 g/mol
LogP3.44
Rot. Bonds5

About (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid

(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid (PubChem CID 172931278) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
PubChem CID172931278
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
SMILESO=C(O)CCC/C(=N\O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-6-4-8(5-7-9)10(16-19)2-1-3-11(17)18/h8-9,19H,1-7H2,(H,17,18)/b16-10+
InChIKeyXEUNSHBIYDTFOL-MHWRWJLKSA-N
XLogP3.44
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic 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 (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The IUPAC name of (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid (CID 172931278) is (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid.
What is the SMILES notation for (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The canonical SMILES for (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid is O=C(O)CCC/C(=N\O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The InChIKey is XEUNSHBIYDTFOL-MHWRWJLKSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)9-6-4-8(5-7-9)10(16-19)2-1-3-11(17)18/h8-9,19H,1-7H2,(H,17,18)/b16-10+.
What are the key properties of (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
(5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid has a molecular weight of 281.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid is sourced from PubChem (CID 172931278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).