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

C11H19F2NO2 — CID 103770291

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C11H19F2NO2/c1-2-11(5-3-4-6-11)10(16)14-7-8(15)9(12)13/h8-9,15H,2-7H2,1H3,(H,14,16)
InChIKeyZWNRKEGIUOEBRE-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 103770291) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID103770291
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C11H19F2NO2/c1-2-11(5-3-4-6-11)10(16)14-7-8(15)9(12)13/h8-9,15H,2-7H2,1H3,(H,14,16)
InChIKeyZWNRKEGIUOEBRE-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

1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiolane-2-carboxamide
CID 103774505
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide
CID 96541675
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide (CID 103770291) is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NCC(O)C(F)F)CCCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is ZWNRKEGIUOEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-11(5-3-4-6-11)10(16)14-7-8(15)9(12)13/h8-9,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 103770291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).