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

C13H22F3NO2 — CID 107299233

IUPACN-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-12(2)6-4-3-5-10(12)11(19)17(7-8-18)9-13(14,15)16/h10,18H,3-9H2,1-2H3
InChIKeyBUKNWSUVXUDFNI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.59
Rot. Bonds4

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

N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107299233) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107299233
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-12(2)6-4-3-5-10(12)11(19)17(7-8-18)9-13(14,15)16/h10,18H,3-9H2,1-2H3
InChIKeyBUKNWSUVXUDFNI-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 60653485
N-[(2S)-2-hydroxypropyl]-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 97813441
8,8-Difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one
CID 163694496
(2-Butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone
CID 175488941
N-(2-Hydroxyethyl)-1-isopropyl-N-methylcycloheptanecarboxamide
CID 3023039
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65880884
N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502853
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79543923
N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81907564
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929182
N-(2-hydroxyethyl)-N-pentan-3-yl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929183

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107299233) is N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is BUKNWSUVXUDFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-12(2)6-4-3-5-10(12)11(19)17(7-8-18)9-13(14,15)16/h10,18H,3-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107299233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).