4,4-difluoro-2-hydroxypentanamide

C5H9F2NO2 — CID 87838707

IUPAC4,4-difluoro-2-hydroxypentanamide
SMILESCC(F)(F)CC(O)C(N)=O
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)2-3(9)4(8)10/h3,9H,2H2,1H3,(H2,8,10)
InChIKeyHZJJDCOWJZPZEN-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.12
Rot. Bonds3

About 4,4-difluoro-2-hydroxypentanamide

4,4-difluoro-2-hydroxypentanamide (PubChem CID 87838707) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 4,4-difluoro-2-hydroxypentanamide.

Molecular Properties

Compound Name4,4-difluoro-2-hydroxypentanamide
PubChem CID87838707
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name4,4-difluoro-2-hydroxypentanamide
SMILESCC(F)(F)CC(O)C(N)=O
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)2-3(9)4(8)10/h3,9H,2H2,1H3,(H2,8,10)
InChIKeyHZJJDCOWJZPZEN-UHFFFAOYSA-N
XLogP-0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-hydroxypentanamide?
The IUPAC name of 4,4-difluoro-2-hydroxypentanamide (CID 87838707) is 4,4-difluoro-2-hydroxypentanamide.
What is the SMILES notation for 4,4-difluoro-2-hydroxypentanamide?
The canonical SMILES for 4,4-difluoro-2-hydroxypentanamide is CC(F)(F)CC(O)C(N)=O.
What is the InChIKey of 4,4-difluoro-2-hydroxypentanamide?
The InChIKey is HZJJDCOWJZPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-5(6,7)2-3(9)4(8)10/h3,9H,2H2,1H3,(H2,8,10).
What are the key properties of 4,4-difluoro-2-hydroxypentanamide?
4,4-difluoro-2-hydroxypentanamide has a molecular weight of 153.13 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-hydroxypentanamide is sourced from PubChem (CID 87838707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).