4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide

C7H12F3NO2 — CID 79191895

IUPAC4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide
SMILESO=C(CCCO)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)3-4-11-6(13)2-1-5-12/h12H,1-5H2,(H,11,13)
InChIKeyVLYLMZCPRFCKIN-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds5

About 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide

4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 79191895) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID79191895
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide
SMILESO=C(CCCO)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)3-4-11-6(13)2-1-5-12/h12H,1-5H2,(H,11,13)
InChIKeyVLYLMZCPRFCKIN-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide (CID 79191895) is 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide is O=C(CCCO)NCCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is VLYLMZCPRFCKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)3-4-11-6(13)2-1-5-12/h12H,1-5H2,(H,11,13).
What are the key properties of 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide?
4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 79191895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).