N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide

C9H12ClF2NO2 — CID 103516291

IUPACN-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCC1C(=O)CCl)C(F)F
InChIInChI=1S/C9H12ClF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15)
InChIKeyDEKWODFJSCMWLT-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide

N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide (PubChem CID 103516291) has the molecular formula C9H12ClF2NO2 and a molecular weight of 239.65 g/mol. Its IUPAC name is N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
PubChem CID103516291
Molecular FormulaC9H12ClF2NO2
Molecular Weight239.65 g/mol
Exact Mass239.05
IUPAC NameN-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCC1C(=O)CCl)C(F)F
InChIInChI=1S/C9H12ClF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15)
InChIKeyDEKWODFJSCMWLT-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
2,2-difluoro-N-(2-methoxycyclopentyl)acetamide
CID 103515439
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227
2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
CID 118495999
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
2-(2-chloroacetyl)cyclohexane-1-carboxylic acid
CID 118009031
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide (CID 103516291) is N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide is O=C(NC1CCCC1C(=O)CCl)C(F)F.
What is the InChIKey of N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The InChIKey is DEKWODFJSCMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15).
What are the key properties of N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide has a molecular weight of 239.65 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).