4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide

C17H14F3NO3 — CID 17477194

IUPAC4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide
SMILESO=C(CC(O)(c1ccco1)C(F)(F)F)NCC#Cc1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)16(23,14-9-5-11-24-14)12-15(22)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11,23H,10,12H2,(H,21,22)
InChIKeyFNWYHMWGBSBDQS-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.59
Rot. Bonds4

About 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide

4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide (PubChem CID 17477194) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide
PubChem CID17477194
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide
SMILESO=C(CC(O)(c1ccco1)C(F)(F)F)NCC#Cc1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)16(23,14-9-5-11-24-14)12-15(22)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11,23H,10,12H2,(H,21,22)
InChIKeyFNWYHMWGBSBDQS-UHFFFAOYSA-N
XLogP2.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide (CID 17477194) is 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide is O=C(CC(O)(c1ccco1)C(F)(F)F)NCC#Cc1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide?
The InChIKey is FNWYHMWGBSBDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)16(23,14-9-5-11-24-14)12-15(22)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11,23H,10,12H2,(H,21,22).
What are the key properties of 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide?
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide has a molecular weight of 337.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide is sourced from PubChem (CID 17477194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).