phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone

C21H14F3NO — CID 46907578

IUPACphenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(/N=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H14F3NO/c22-21(23,24)18-11-9-15(10-12-18)14-25-19-8-4-7-17(13-19)20(26)16-5-2-1-3-6-16/h1-14H/b25-14+
InChIKeyUTZQMNKKWQBSEL-AFUMVMLFSA-N
MW353.34 g/mol
LogP5.69
Rot. Bonds4

About phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone

phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone (PubChem CID 46907578) has the molecular formula C21H14F3NO and a molecular weight of 353.34 g/mol. Its IUPAC name is phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone
PubChem CID46907578
Molecular FormulaC21H14F3NO
Molecular Weight353.34 g/mol
Exact Mass353.10
IUPAC Namephenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(/N=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H14F3NO/c22-21(23,24)18-11-9-15(10-12-18)14-25-19-8-4-7-17(13-19)20(26)16-5-2-1-3-6-16/h1-14H/b25-14+
InChIKeyUTZQMNKKWQBSEL-AFUMVMLFSA-N
XLogP5.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 161391832
CID 161391832
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
[4-[[3-(4-fluorobenzoyl)phenyl]iminomethyl]phenyl] 3-bromobenzoate
CID 46502109
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
CID 10784299
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770
(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 43244487
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone?
The IUPAC name of phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone (CID 46907578) is phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone.
What is the SMILES notation for phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone?
The canonical SMILES for phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone is O=C(c1ccccc1)c1cccc(/N=C/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone?
The InChIKey is UTZQMNKKWQBSEL-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H14F3NO/c22-21(23,24)18-11-9-15(10-12-18)14-25-19-8-4-7-17(13-19)20(26)16-5-2-1-3-6-16/h1-14H/b25-14+.
What are the key properties of phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone?
phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone has a molecular weight of 353.34 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone is sourced from PubChem (CID 46907578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).