4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

C12H20F3NO2 — CID 79200898

IUPAC4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(O)CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-8(17)6-7-11(18)16-10-5-3-2-4-9(10)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyVGAFYHOWYPQJJV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.38
Rot. Bonds4

About 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 79200898) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID79200898
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(O)CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-8(17)6-7-11(18)16-10-5-3-2-4-9(10)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyVGAFYHOWYPQJJV-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (CID 79200898) is 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is CC(O)CCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is VGAFYHOWYPQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(17)6-7-11(18)16-10-5-3-2-4-9(10)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 267.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 79200898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).