2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide

C10H9BrF3NO2 — CID 123672468

IUPAC2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H9BrF3NO2/c11-5-1-2-7(12)6(3-5)8(9(15)17)10(13,14)4-16/h1-3,8,16H,4H2,(H2,15,17)
InChIKeyJJGPPFNYKKYMNZ-UHFFFAOYSA-N
MW312.09 g/mol
LogP1.78
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide

2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide (PubChem CID 123672468) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide
PubChem CID123672468
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H9BrF3NO2/c11-5-1-2-7(12)6(3-5)8(9(15)17)10(13,14)4-16/h1-3,8,16H,4H2,(H2,15,17)
InChIKeyJJGPPFNYKKYMNZ-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide (CID 123672468) is 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide is NC(=O)C(c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The InChIKey is JJGPPFNYKKYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-5-1-2-7(12)6(3-5)8(9(15)17)10(13,14)4-16/h1-3,8,16H,4H2,(H2,15,17).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide has a molecular weight of 312.09 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutanamide is sourced from PubChem (CID 123672468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).