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

C5H9F2NO2 — CID 103513877

IUPAC2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESO=C(NCCCO)C(F)F
InChIInChI=1S/C5H9F2NO2/c6-4(7)5(10)8-2-1-3-9/h4,9H,1-3H2,(H,8,10)
InChIKeyRQOCLUZRFFMWMH-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.25
Rot. Bonds4

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

2,2-difluoro-N-(3-hydroxypropyl)acetamide (PubChem CID 103513877) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-hydroxypropyl)acetamide
PubChem CID103513877
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESO=C(NCCCO)C(F)F
InChIInChI=1S/C5H9F2NO2/c6-4(7)5(10)8-2-1-3-9/h4,9H,1-3H2,(H,8,10)
InChIKeyRQOCLUZRFFMWMH-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.25
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-(3-hydroxypropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-hydroxypropyl)acetamide (CID 103513877) is 2,2-difluoro-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-hydroxypropyl)acetamide is O=C(NCCCO)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The InChIKey is RQOCLUZRFFMWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-4(7)5(10)8-2-1-3-9/h4,9H,1-3H2,(H,8,10).
What are the key properties of 2,2-difluoro-N-(3-hydroxypropyl)acetamide?
2,2-difluoro-N-(3-hydroxypropyl)acetamide has a molecular weight of 153.13 g/mol, XLogP of -0.25, 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-hydroxypropyl)acetamide is sourced from PubChem (CID 103513877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).