N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide

C10H14ClF2NO2 — CID 103516301

IUPACN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)F)CCCC1
InChIInChI=1S/C10H14ClF2NO2/c11-6-7(15)5-10(3-1-2-4-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16)
InChIKeyYAMGTDBHOSOFGH-UHFFFAOYSA-N
MW253.68 g/mol
LogP1.88
Rot. Bonds5

About N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide

N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide (PubChem CID 103516301) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide
PubChem CID103516301
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC NameN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)F)CCCC1
InChIInChI=1S/C10H14ClF2NO2/c11-6-7(15)5-10(3-1-2-4-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16)
InChIKeyYAMGTDBHOSOFGH-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide (CID 103516301) is N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide is O=C(CCl)CC1(NC(=O)C(F)F)CCCC1.
What is the InChIKey of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide?
The InChIKey is YAMGTDBHOSOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NO2/c11-6-7(15)5-10(3-1-2-4-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16).
What are the key properties of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide?
N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide has a molecular weight of 253.68 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).