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

C10H17F2NO2 — CID 103770151

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C10H17F2NO2/c1-10(4-2-3-5-10)9(15)13-6-7(14)8(11)12/h7-8,14H,2-6H2,1H3,(H,13,15)
InChIKeyOCXTUPKPQSKPHO-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 103770151) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
PubChem CID103770151
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCCC1
InChIInChI=1S/C10H17F2NO2/c1-10(4-2-3-5-10)9(15)13-6-7(14)8(11)12/h7-8,14H,2-6H2,1H3,(H,13,15)
InChIKeyOCXTUPKPQSKPHO-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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide (CID 103770151) is N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC(O)C(F)F)CCCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is OCXTUPKPQSKPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(4-2-3-5-10)9(15)13-6-7(14)8(11)12/h7-8,14H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 103770151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).