3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one

C15H10F3NO — CID 11087054

IUPAC3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one
SMILESO=C(/C(=N/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H/b19-14-
InChIKeyBHDVKYHVVJDTML-RGEXLXHISA-N
MW277.25 g/mol
LogP4.20
Rot. Bonds3

About 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one

3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one (PubChem CID 11087054) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one
PubChem CID11087054
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one
SMILESO=C(/C(=N/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H/b19-14-
InChIKeyBHDVKYHVVJDTML-RGEXLXHISA-N
XLogP4.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one (CID 11087054) is 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one is O=C(/C(=N/c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one?
The InChIKey is BHDVKYHVVJDTML-RGEXLXHISA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H/b19-14-.
What are the key properties of 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one?
3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one has a molecular weight of 277.25 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-2-phenyliminopropan-1-one is sourced from PubChem (CID 11087054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).