4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C15H27F2NO2 — CID 107483027

IUPAC4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C15H27F2NO2/c1-15(2,3)12-6-4-11(5-7-12)14(20)18(8-9-19)10-13(16)17/h11-13,19H,4-10H2,1-3H3
InChIKeyGYQADSXOFWVCDY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.92
Rot. Bonds5

About 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 107483027) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID107483027
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C15H27F2NO2/c1-15(2,3)12-6-4-11(5-7-12)14(20)18(8-9-19)10-13(16)17/h11-13,19H,4-10H2,1-3H3
InChIKeyGYQADSXOFWVCDY-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.92
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-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
CID 129400075
8,8-Difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one
CID 163694496
N-(2-Hydroxyethyl)-1-isopropyl-N-methylcycloheptanecarboxamide
CID 3023039
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
N-cyclopentyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929220

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 107483027) is 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is GYQADSXOFWVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-15(2,3)12-6-4-11(5-7-12)14(20)18(8-9-19)10-13(16)17/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107483027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).