4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H10ClF3N2 — CID 5115489

IUPAC4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClF3N2/c15-12-5-7-13(8-6-12)20-19-9-10-1-3-11(4-2-10)14(16,17)18/h1-9,20H
InChIKeyCSAFYOGMZGTHSJ-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.80
Rot. Bonds3

About 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline

4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 5115489) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID5115489
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClF3N2/c15-12-5-7-13(8-6-12)20-19-9-10-1-3-11(4-2-10)14(16,17)18/h1-9,20H
InChIKeyCSAFYOGMZGTHSJ-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134123873
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol
CID 177497941
N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 3835429
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 5115489) is 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)c1ccc(C=NNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is CSAFYOGMZGTHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c15-12-5-7-13(8-6-12)20-19-9-10-1-3-11(4-2-10)14(16,17)18/h1-9,20H.
What are the key properties of 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 298.70 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 5115489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).