N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide

C10H18BrF2NO — CID 107491572

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO/c1-4-10(2,3)9(15)14(6-5-11)7-8(12)13/h8H,4-7H2,1-3H3
InChIKeyJFDZYADRSHLLQH-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.91
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide (PubChem CID 107491572) has the molecular formula C10H18BrF2NO and a molecular weight of 286.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide
PubChem CID107491572
Molecular FormulaC10H18BrF2NO
Molecular Weight286.16 g/mol
Exact Mass285.05
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO/c1-4-10(2,3)9(15)14(6-5-11)7-8(12)13/h8H,4-7H2,1-3H3
InChIKeyJFDZYADRSHLLQH-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide (CID 107491572) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide?
The InChIKey is JFDZYADRSHLLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF2NO/c1-4-10(2,3)9(15)14(6-5-11)7-8(12)13/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide has a molecular weight of 286.16 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 107491572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).