N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide

C11H19F2NO2 — CID 104857293

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C11H19F2NO2/c1-2-10(5-3-4-6-10)9(16)14-7-11(12,13)8-15/h15H,2-8H2,1H3,(H,14,16)
InChIKeyOXAFVUMZIFIRGM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 104857293) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID104857293
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C11H19F2NO2/c1-2-10(5-3-4-6-10)9(16)14-7-11(12,13)8-15/h15H,2-8H2,1H3,(H,14,16)
InChIKeyOXAFVUMZIFIRGM-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787570
2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95984589
1-ethyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 71111906
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81646135
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929444
4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 81932571
4,4-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 81932811
N-(3-hydroxy-2,2-dimethylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932831
4,4-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)cyclohexane-1-carboxamide
CID 81932832
N-(3-hydroxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932919
4,4-difluoro-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932920

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide (CID 104857293) is N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NCC(F)(F)CO)CCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is OXAFVUMZIFIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-10(5-3-4-6-10)9(16)14-7-11(12,13)8-15/h15H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104857293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).