2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide

C6H9F4NO2 — CID 3497146

IUPAC2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide
SMILESO=C(NCCCO)C(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO2/c7-4(8)6(9,10)5(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13)
InChIKeyHHXFLGPOIYJJMI-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.39
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide

2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide (PubChem CID 3497146) has the molecular formula C6H9F4NO2 and a molecular weight of 203.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide
PubChem CID3497146
Molecular FormulaC6H9F4NO2
Molecular Weight203.13 g/mol
Exact Mass203.06
IUPAC Name2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide
SMILESO=C(NCCCO)C(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO2/c7-4(8)6(9,10)5(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13)
InChIKeyHHXFLGPOIYJJMI-UHFFFAOYSA-N
XLogP0.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide (CID 3497146) is 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide is O=C(NCCCO)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide?
The InChIKey is HHXFLGPOIYJJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO2/c7-4(8)6(9,10)5(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide?
2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide has a molecular weight of 203.13 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 3497146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).