2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

C16H12F3NO — CID 123661507

IUPAC2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILES[H]/N=C(\C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c1-10(20)15(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)16(17,18)19/h2-9,20H,1H3/b20-10+
InChIKeyLVLMLACGXYJKHZ-KEBDBYFISA-N
MW291.27 g/mol
LogP4.59
Rot. Bonds3

About 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (PubChem CID 123661507) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
PubChem CID123661507
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILES[H]/N=C(\C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c1-10(20)15(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)16(17,18)19/h2-9,20H,1H3/b20-10+
InChIKeyLVLMLACGXYJKHZ-KEBDBYFISA-N
XLogP4.59
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
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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Related Compounds

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1-[2-[4-(Trifluoromethyl)benzoyl]phenyl]ethanone
CID 2800944
2-Hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
CID 2803521
(2E)-1-[4-(2-fluorophenyl)phenyl]-2-hydroxyiminopropan-1-one
CID 9580646
(E)-3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177371052
(E)-3-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177371058
2-Acetyl-4'-(trifluoromethyl)-5-methylbiphenyl
CID 11346471
alpha-Methyl-4'-(trifluoromethyl)deoxybenzoin
CID 11173488
1-[4'-(Trifluoromethyl)[1,1'-biphenyl]-2-yl] ethanone
CID 20100197
4-Trifluoroacetyl[2.2]paracyclophane
CID 22572400

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (CID 123661507) is 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is [H]/N=C(\C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The InChIKey is LVLMLACGXYJKHZ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H12F3NO/c1-10(20)15(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)16(17,18)19/h2-9,20H,1H3/b20-10+.
What are the key properties of 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one has a molecular weight of 291.27 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 123661507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).