1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine

C14H9ClF3N — CID 23340671

IUPAC1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
SMILESFC(F)(F)c1cccc(/C=N/c2ccccc2)c1Cl
InChIInChI=1S/C14H9ClF3N/c15-13-10(5-4-8-12(13)14(16,17)18)9-19-11-6-2-1-3-7-11/h1-9H/b19-9+
InChIKeyHMXSSKOVBCAECQ-DJKKODMXSA-N
MW283.68 g/mol
LogP5.11
Rot. Bonds2

About 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine

1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine (PubChem CID 23340671) has the molecular formula C14H9ClF3N and a molecular weight of 283.68 g/mol. Its IUPAC name is 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
PubChem CID23340671
Molecular FormulaC14H9ClF3N
Molecular Weight283.68 g/mol
Exact Mass283.04
IUPAC Name1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
SMILESFC(F)(F)c1cccc(/C=N/c2ccccc2)c1Cl
InChIInChI=1S/C14H9ClF3N/c15-13-10(5-4-8-12(13)14(16,17)18)9-19-11-6-2-1-3-7-11/h1-9H/b19-9+
InChIKeyHMXSSKOVBCAECQ-DJKKODMXSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.68
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
4-[(2,3-dichlorophenyl)methylideneamino]phenol
CID 132648456
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine (CID 23340671) is 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine is FC(F)(F)c1cccc(/C=N/c2ccccc2)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The InChIKey is HMXSSKOVBCAECQ-DJKKODMXSA-N. The full InChI is InChI=1S/C14H9ClF3N/c15-13-10(5-4-8-12(13)14(16,17)18)9-19-11-6-2-1-3-7-11/h1-9H/b19-9+.
What are the key properties of 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine?
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine has a molecular weight of 283.68 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine is sourced from PubChem (CID 23340671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).