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

C10H17F2NO2 — CID 104857176

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C10H17F2NO2/c1-9(4-2-3-5-9)8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15)
InChIKeyPIZWCAAJAHGEOC-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 104857176) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
PubChem CID104857176
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C10H17F2NO2/c1-9(4-2-3-5-9)8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15)
InChIKeyPIZWCAAJAHGEOC-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
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
1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 143709849
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
4,4-difluoro-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932920
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
CID 103526983
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103730662
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103755875
N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 103770151

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide (CID 104857176) is N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC(F)(F)CO)CCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is PIZWCAAJAHGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(4-2-3-5-9)8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 4 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104857176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).