4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

C15H13F4NO3 — CID 110883224

IUPAC4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)Nc2ccc(F)cc2)C(F)(F)F)o1
InChIInChI=1S/C15H13F4NO3/c1-9-2-7-12(23-9)14(22,15(17,18)19)8-13(21)20-11-5-3-10(16)4-6-11/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyLUDULKDMYDZRGH-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.51
Rot. Bonds4

About 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110883224) has the molecular formula C15H13F4NO3 and a molecular weight of 331.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
PubChem CID110883224
Molecular FormulaC15H13F4NO3
Molecular Weight331.27 g/mol
Exact Mass331.08
IUPAC Name4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)Nc2ccc(F)cc2)C(F)(F)F)o1
InChIInChI=1S/C15H13F4NO3/c1-9-2-7-12(23-9)14(22,15(17,18)19)8-13(21)20-11-5-3-10(16)4-6-11/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyLUDULKDMYDZRGH-UHFFFAOYSA-N
XLogP3.51
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883173
4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883203
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883209
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 110883200
(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide
CID 97108925
1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
CID 94050588
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
pyridin-2-ylmethyl (3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanoate
CID 95633577
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
CID 94144374
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (CID 110883224) is 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is Cc1ccc(C(O)(CC(=O)Nc2ccc(F)cc2)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is LUDULKDMYDZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3/c1-9-2-7-12(23-9)14(22,15(17,18)19)8-13(21)20-11-5-3-10(16)4-6-11/h2-7,22H,8H2,1H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 331.27 g/mol, XLogP of 3.51, 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-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110883224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).