2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide

C5H8F3NO2 — CID 141078442

IUPAC2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide
SMILESO=C(NC(O)CCF)C(F)F
InChIInChI=1S/C5H8F3NO2/c6-2-1-3(10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11)
InChIKeyCADBCDIDYADTSW-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds4

About 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide

2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide (PubChem CID 141078442) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide
PubChem CID141078442
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide
SMILESO=C(NC(O)CCF)C(F)F
InChIInChI=1S/C5H8F3NO2/c6-2-1-3(10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11)
InChIKeyCADBCDIDYADTSW-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide (CID 141078442) is 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide is O=C(NC(O)CCF)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide?
The InChIKey is CADBCDIDYADTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-2-1-3(10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11).
What are the key properties of 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide?
2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide has a molecular weight of 171.12 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-fluoro-1-hydroxypropyl)acetamide is sourced from PubChem (CID 141078442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).