2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide

C13H22F3NO2 — CID 154303044

IUPAC2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide
SMILESC[C@@H](C1CCCCC1)C(O)(CCC(F)(F)F)C(N)=O
InChIInChI=1S/C13H22F3NO2/c1-9(10-5-3-2-4-6-10)12(19,11(17)18)7-8-13(14,15)16/h9-10,19H,2-8H2,1H3,(H2,17,18)/t9-,12?/m0/s1
InChIKeyFREBBMHNPIFLKH-QHGLUPRGSA-N
MW281.32 g/mol
LogP2.76
Rot. Bonds5

About 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide

2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide (PubChem CID 154303044) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide.

Molecular Properties

Compound Name2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide
PubChem CID154303044
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide
SMILESC[C@@H](C1CCCCC1)C(O)(CCC(F)(F)F)C(N)=O
InChIInChI=1S/C13H22F3NO2/c1-9(10-5-3-2-4-6-10)12(19,11(17)18)7-8-13(14,15)16/h9-10,19H,2-8H2,1H3,(H2,17,18)/t9-,12?/m0/s1
InChIKeyFREBBMHNPIFLKH-QHGLUPRGSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide 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 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide?
The IUPAC name of 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide (CID 154303044) is 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide.
What is the SMILES notation for 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide?
The canonical SMILES for 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide is C[C@@H](C1CCCCC1)C(O)(CCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide?
The InChIKey is FREBBMHNPIFLKH-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9(10-5-3-2-4-6-10)12(19,11(17)18)7-8-13(14,15)16/h9-10,19H,2-8H2,1H3,(H2,17,18)/t9-,12?/m0/s1.
What are the key properties of 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide?
2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide has a molecular weight of 281.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclohexylethyl]-5,5,5-trifluoro-2-hydroxypentanamide is sourced from PubChem (CID 154303044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).