4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one

C14H10F3NO2 — CID 71374779

IUPAC4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one
SMILESO=C(C/C(=N\c1ccccc1)C(F)(F)F)c1ccco1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18-10-5-2-1-3-6-10)9-11(19)12-7-4-8-20-12/h1-8H,9H2/b18-13+
InChIKeyTZHZQWWZCXQJQC-QGOAFFKASA-N
MW281.23 g/mol
LogP4.19
Rot. Bonds4

About 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one

4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one (PubChem CID 71374779) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one
PubChem CID71374779
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one
SMILESO=C(C/C(=N\c1ccccc1)C(F)(F)F)c1ccco1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18-10-5-2-1-3-6-10)9-11(19)12-7-4-8-20-12/h1-8H,9H2/b18-13+
InChIKeyTZHZQWWZCXQJQC-QGOAFFKASA-N
XLogP4.19
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one (CID 71374779) is 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one is O=C(C/C(=N\c1ccccc1)C(F)(F)F)c1ccco1.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one?
The InChIKey is TZHZQWWZCXQJQC-QGOAFFKASA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13(18-10-5-2-1-3-6-10)9-11(19)12-7-4-8-20-12/h1-8H,9H2/b18-13+.
What are the key properties of 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one?
4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one has a molecular weight of 281.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(furan-2-yl)-3-phenyliminobutan-1-one is sourced from PubChem (CID 71374779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).