N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide

C10H14BrF2NO2 — CID 103516292

IUPACN-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCCC1C(=O)CBr)C(F)F
InChIInChI=1S/C10H14BrF2NO2/c11-5-8(15)6-3-1-2-4-7(6)14-10(16)9(12)13/h6-7,9H,1-5H2,(H,14,16)
InChIKeyBNELBNACFKEODF-UHFFFAOYSA-N
MW298.13 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide

N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide (PubChem CID 103516292) has the molecular formula C10H14BrF2NO2 and a molecular weight of 298.13 g/mol. Its IUPAC name is N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide
PubChem CID103516292
Molecular FormulaC10H14BrF2NO2
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC NameN-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCCC1C(=O)CBr)C(F)F
InChIInChI=1S/C10H14BrF2NO2/c11-5-8(15)6-3-1-2-4-7(6)14-10(16)9(12)13/h6-7,9H,1-5H2,(H,14,16)
InChIKeyBNELBNACFKEODF-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 51.89
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-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide (CID 103516292) is N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide is O=C(NC1CCCCC1C(=O)CBr)C(F)F.
What is the InChIKey of N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide?
The InChIKey is BNELBNACFKEODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF2NO2/c11-5-8(15)6-3-1-2-4-7(6)14-10(16)9(12)13/h6-7,9H,1-5H2,(H,14,16).
What are the key properties of N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide?
N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide has a molecular weight of 298.13 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).