N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 79543923

IUPACN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyUJMOCLATMRAMEG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.19
Rot. Bonds3

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

N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79543923) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79543923
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyUJMOCLATMRAMEG-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79543923) is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UJMOCLATMRAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79543923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).