(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide

C12H13BrF3NO2 — CID 140595217

IUPAC(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide
SMILESC[C@@](CC(N)=O)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C12H13BrF3NO2/c1-11(5-10(17)19,12(15,16)6-18)8-4-7(13)2-3-9(8)14/h2-4,18H,5-6H2,1H3,(H2,17,19)/t11-/m1/s1
InChIKeyRGHZMSGLRJPHQZ-LLVKDONJSA-N
MW340.14 g/mol
LogP2.35
Rot. Bonds5

About (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide

(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide (PubChem CID 140595217) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide
PubChem CID140595217
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide
SMILESC[C@@](CC(N)=O)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C12H13BrF3NO2/c1-11(5-10(17)19,12(15,16)6-18)8-4-7(13)2-3-9(8)14/h2-4,18H,5-6H2,1H3,(H2,17,19)/t11-/m1/s1
InChIKeyRGHZMSGLRJPHQZ-LLVKDONJSA-N
XLogP2.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide?
The IUPAC name of (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide (CID 140595217) is (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide.
What is the SMILES notation for (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide?
The canonical SMILES for (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide is C[C@@](CC(N)=O)(c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide?
The InChIKey is RGHZMSGLRJPHQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-11(5-10(17)19,12(15,16)6-18)8-4-7(13)2-3-9(8)14/h2-4,18H,5-6H2,1H3,(H2,17,19)/t11-/m1/s1.
What are the key properties of (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide?
(3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide has a molecular weight of 340.14 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-bromo-2-fluorophenyl)-4,4-difluoro-5-hydroxy-3-methylpentanamide is sourced from PubChem (CID 140595217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).