2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide

C8H10BrF2NO — CID 130676235

IUPAC2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide
SMILESO=C(NC1CC1C1CC1)C(F)(F)Br
InChIInChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-3-5(6)4-1-2-4/h4-6H,1-3H2,(H,12,13)
InChIKeyVAJOQTRGOASRGD-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.89
Rot. Bonds3

About 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide

2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide (PubChem CID 130676235) has the molecular formula C8H10BrF2NO and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide
PubChem CID130676235
Molecular FormulaC8H10BrF2NO
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Name2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide
SMILESO=C(NC1CC1C1CC1)C(F)(F)Br
InChIInChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-3-5(6)4-1-2-4/h4-6H,1-3H2,(H,12,13)
InChIKeyVAJOQTRGOASRGD-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide?
The IUPAC name of 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide (CID 130676235) is 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide is O=C(NC1CC1C1CC1)C(F)(F)Br.
What is the InChIKey of 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide?
The InChIKey is VAJOQTRGOASRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-3-5(6)4-1-2-4/h4-6H,1-3H2,(H,12,13).
What are the key properties of 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide?
2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide has a molecular weight of 254.07 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropylcyclopropyl)-2,2-difluoroacetamide is sourced from PubChem (CID 130676235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).