N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H24F3NO2 — CID 103713119

IUPACN-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-3-8-13(2,20)9-18-12(19)10-6-4-5-7-11(10)14(15,16)17/h10-11,20H,3-9H2,1-2H3,(H,18,19)
InChIKeyYPQIQLISNRVQGQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103713119) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103713119
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-3-8-13(2,20)9-18-12(19)10-6-4-5-7-11(10)14(15,16)17/h10-11,20H,3-9H2,1-2H3,(H,18,19)
InChIKeyYPQIQLISNRVQGQ-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103713119) is N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCCC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YPQIQLISNRVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-3-8-13(2,20)9-18-12(19)10-6-4-5-7-11(10)14(15,16)17/h10-11,20H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103713119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).