N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide

C9H11ClF3NO2 — CID 104701012

IUPACN-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCC1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NO2/c10-5-6(15)8(3-1-2-4-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16)
InChIKeyCIGSBOLYKBPPNE-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.79
Rot. Bonds3

About N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide

N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide (PubChem CID 104701012) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
PubChem CID104701012
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC NameN-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCC1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NO2/c10-5-6(15)8(3-1-2-4-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16)
InChIKeyCIGSBOLYKBPPNE-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.79
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

N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide
CID 139915169
N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
CID 103516230
N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide
CID 103516234
N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
CID 103516236
N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoroacetamide
CID 103516297
N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide
CID 103516301
N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2-difluoroacetamide
CID 103516329
N-[1-(2-chloroacetyl)cyclobutyl]-2,2-difluoroacetamide
CID 103516336
N-[1-(2-chloroacetyl)cycloheptyl]-2,2,2-trifluoroacetamide
CID 104701035
N-[1-(2-chloroacetyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 104701047
N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 104701423
N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701447

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide (CID 104701012) is N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide is O=C(NC1(C(=O)CCl)CCCC1)C(F)(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The InChIKey is CIGSBOLYKBPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2/c10-5-6(15)8(3-1-2-4-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16).
What are the key properties of N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide?
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide has a molecular weight of 257.64 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104701012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).