N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H26F3NO2 — CID 71922009

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyLZEMIJVIKNERCH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71922009) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71922009
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyLZEMIJVIKNERCH-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71922009) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(O)CC(C)(C)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LZEMIJVIKNERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71922009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).