2,2-difluoro-N-(5-hydroxypentyl)acetamide

C7H13F2NO2 — CID 107318434

IUPAC2,2-difluoro-N-(5-hydroxypentyl)acetamide
SMILESO=C(NCCCCCO)C(F)F
InChIInChI=1S/C7H13F2NO2/c8-6(9)7(12)10-4-2-1-3-5-11/h6,11H,1-5H2,(H,10,12)
InChIKeyXTTUNAZZWWJKPC-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds6

About 2,2-difluoro-N-(5-hydroxypentyl)acetamide

2,2-difluoro-N-(5-hydroxypentyl)acetamide (PubChem CID 107318434) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-hydroxypentyl)acetamide
PubChem CID107318434
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(5-hydroxypentyl)acetamide
SMILESO=C(NCCCCCO)C(F)F
InChIInChI=1S/C7H13F2NO2/c8-6(9)7(12)10-4-2-1-3-5-11/h6,11H,1-5H2,(H,10,12)
InChIKeyXTTUNAZZWWJKPC-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(5-hydroxypentyl)acetamide (CID 107318434) is 2,2-difluoro-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(5-hydroxypentyl)acetamide is O=C(NCCCCCO)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(5-hydroxypentyl)acetamide?
The InChIKey is XTTUNAZZWWJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-6(9)7(12)10-4-2-1-3-5-11/h6,11H,1-5H2,(H,10,12).
What are the key properties of 2,2-difluoro-N-(5-hydroxypentyl)acetamide?
2,2-difluoro-N-(5-hydroxypentyl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107318434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).