N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide

C12H18ClF2NO2 — CID 103516283

IUPACN-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)C1(CC(=O)CCl)CCCCC1
InChIInChI=1S/C12H18ClF2NO2/c1-16(11(18)10(14)15)12(7-9(17)8-13)5-3-2-4-6-12/h10H,2-8H2,1H3
InChIKeyOSQOKMOJZINRCG-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide

N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide (PubChem CID 103516283) has the molecular formula C12H18ClF2NO2 and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide
PubChem CID103516283
Molecular FormulaC12H18ClF2NO2
Molecular Weight281.73 g/mol
Exact Mass281.10
IUPAC NameN-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)C1(CC(=O)CCl)CCCCC1
InChIInChI=1S/C12H18ClF2NO2/c1-16(11(18)10(14)15)12(7-9(17)8-13)5-3-2-4-6-12/h10H,2-8H2,1H3
InChIKeyOSQOKMOJZINRCG-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
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)cyclohexyl]-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide (CID 103516283) is N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide is CN(C(=O)C(F)F)C1(CC(=O)CCl)CCCCC1.
What is the InChIKey of N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide?
The InChIKey is OSQOKMOJZINRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF2NO2/c1-16(11(18)10(14)15)12(7-9(17)8-13)5-3-2-4-6-12/h10H,2-8H2,1H3.
What are the key properties of N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide?
N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide has a molecular weight of 281.73 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-oxopropyl)cyclohexyl]-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 103516283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).