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

C10H8BrF4NO2 — CID 71009013

IUPAC2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)c(F)cc1F)C(F)(F)CO
InChIInChI=1S/C10H8BrF4NO2/c11-5-1-4(6(12)2-7(5)13)8(9(16)18)10(14,15)3-17/h1-2,8,17H,3H2,(H2,16,18)
InChIKeyKLBZCABKLCJLMI-UHFFFAOYSA-N
MW330.08 g/mol
LogP1.92
Rot. Bonds4

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

2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide (PubChem CID 71009013) has the molecular formula C10H8BrF4NO2 and a molecular weight of 330.08 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide
PubChem CID71009013
Molecular FormulaC10H8BrF4NO2
Molecular Weight330.08 g/mol
Exact Mass328.97
IUPAC Name2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)c(F)cc1F)C(F)(F)CO
InChIInChI=1S/C10H8BrF4NO2/c11-5-1-4(6(12)2-7(5)13)8(9(16)18)10(14,15)3-17/h1-2,8,17H,3H2,(H2,16,18)
InChIKeyKLBZCABKLCJLMI-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The IUPAC name of 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide (CID 71009013) is 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide.
What is the SMILES notation for 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The canonical SMILES for 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide is NC(=O)C(c1cc(Br)c(F)cc1F)C(F)(F)CO.
What is the InChIKey of 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
The InChIKey is KLBZCABKLCJLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO2/c11-5-1-4(6(12)2-7(5)13)8(9(16)18)10(14,15)3-17/h1-2,8,17H,3H2,(H2,16,18).
What are the key properties of 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide?
2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide has a molecular weight of 330.08 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-difluorophenyl)-3,3-difluoro-4-hydroxybutanamide is sourced from PubChem (CID 71009013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).