N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 107483433

IUPACN-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-11(5-3-2-4-6-11)10(18)16(7-8-17)9-12(13,14)15/h17H,2-9H2,1H3
InChIKeyXPXHITYISLZDJT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds4

About N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107483433) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107483433
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-11(5-3-2-4-6-11)10(18)16(7-8-17)9-12(13,14)15/h17H,2-9H2,1H3
InChIKeyXPXHITYISLZDJT-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107483433) is N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is XPXHITYISLZDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(5-3-2-4-6-11)10(18)16(7-8-17)9-12(13,14)15/h17H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107483433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).