N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide

C11H16ClF2NO2 — CID 103516234

IUPACN-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCCCC1)C(F)F
InChIInChI=1S/C11H16ClF2NO2/c12-7-8(16)11(15-10(17)9(13)14)5-3-1-2-4-6-11/h9H,1-7H2,(H,15,17)
InChIKeyXBEARJBZHHWIAF-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide

N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide (PubChem CID 103516234) has the molecular formula C11H16ClF2NO2 and a molecular weight of 267.70 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide
PubChem CID103516234
Molecular FormulaC11H16ClF2NO2
Molecular Weight267.70 g/mol
Exact Mass267.08
IUPAC NameN-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCCCC1)C(F)F
InChIInChI=1S/C11H16ClF2NO2/c12-7-8(16)11(15-10(17)9(13)14)5-3-1-2-4-6-11/h9H,1-7H2,(H,15,17)
InChIKeyXBEARJBZHHWIAF-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.27
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-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide (CID 103516234) is N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide is O=C(NC1(C(=O)CCl)CCCCCC1)C(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide?
The InChIKey is XBEARJBZHHWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2NO2/c12-7-8(16)11(15-10(17)9(13)14)5-3-1-2-4-6-11/h9H,1-7H2,(H,15,17).
What are the key properties of N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide?
N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide has a molecular weight of 267.70 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)cycloheptyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).