N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H22F3NO2 — CID 79291322

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-12(2,19)8-17(3)11(18)9-5-4-6-10(7-9)13(14,15)16/h9-10,19H,4-8H2,1-3H3
InChIKeyWPPOFMDZOGNYNK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.58
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79291322) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79291322
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-12(2,19)8-17(3)11(18)9-5-4-6-10(7-9)13(14,15)16/h9-10,19H,4-8H2,1-3H3
InChIKeyWPPOFMDZOGNYNK-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79291322) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WPPOFMDZOGNYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-12(2,19)8-17(3)11(18)9-5-4-6-10(7-9)13(14,15)16/h9-10,19H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79291322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).