4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide

C9H7BrF3NO — CID 79080028

IUPAC4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
SMILESO=C(NCC(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C9H7BrF3NO/c10-5-1-2-6(7(11)3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeyJPKROVGNHUEKBX-UHFFFAOYSA-N
MW282.06 g/mol
LogP2.58
Rot. Bonds3

About 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide

4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide (PubChem CID 79080028) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
PubChem CID79080028
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
SMILESO=C(NCC(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C9H7BrF3NO/c10-5-1-2-6(7(11)3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeyJPKROVGNHUEKBX-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide (CID 79080028) is 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide is O=C(NCC(F)F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The InChIKey is JPKROVGNHUEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c10-5-1-2-6(7(11)3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15).
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide?
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide has a molecular weight of 282.06 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide is sourced from PubChem (CID 79080028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).