N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

C12H21F2NO2 — CID 113340557

IUPACN-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCCN(CCCO)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2/c1-2-15(8-3-9-16)11(17)10-4-6-12(13,14)7-5-10/h10,16H,2-9H2,1H3
InChIKeyJYIFVAQFDZSQOU-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 113340557) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID113340557
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCCN(CCCO)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2/c1-2-15(8-3-9-16)11(17)10-4-6-12(13,14)7-5-10/h10,16H,2-9H2,1H3
InChIKeyJYIFVAQFDZSQOU-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
N-ethyl-N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 115771580
N-ethyl-N-(3-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 115771738
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 115869444
N-cyclobutyl-3,3-difluoro-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 114094525
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
CID 113468850
N-(2-bromoethyl)-4,4-difluoro-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 113468321
N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493690
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (CID 113340557) is N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is CCN(CCCO)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is JYIFVAQFDZSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-15(8-3-9-16)11(17)10-4-6-12(13,14)7-5-10/h10,16H,2-9H2,1H3.
What are the key properties of N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113340557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).