N-[(2,3,5-trifluorophenyl)methylideneamino]aniline

C13H9F3N2 — CID 169381722

IUPACN-[(2,3,5-trifluorophenyl)methylideneamino]aniline
SMILESFc1cc(F)c(F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9F3N2/c14-10-6-9(13(16)12(15)7-10)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyYTBQVFHNRSYVCA-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.55
Rot. Bonds3

About N-[(2,3,5-trifluorophenyl)methylideneamino]aniline

N-[(2,3,5-trifluorophenyl)methylideneamino]aniline (PubChem CID 169381722) has the molecular formula C13H9F3N2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-[(2,3,5-trifluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,3,5-trifluorophenyl)methylideneamino]aniline
PubChem CID169381722
Molecular FormulaC13H9F3N2
Molecular Weight250.22 g/mol
Exact Mass250.07
IUPAC NameN-[(2,3,5-trifluorophenyl)methylideneamino]aniline
SMILESFc1cc(F)c(F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9F3N2/c14-10-6-9(13(16)12(15)7-10)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyYTBQVFHNRSYVCA-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
CID 169384176
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,5-trifluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,3,5-trifluorophenyl)methylideneamino]aniline (CID 169381722) is N-[(2,3,5-trifluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,3,5-trifluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,3,5-trifluorophenyl)methylideneamino]aniline is Fc1cc(F)c(F)c(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(2,3,5-trifluorophenyl)methylideneamino]aniline?
The InChIKey is YTBQVFHNRSYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2/c14-10-6-9(13(16)12(15)7-10)8-17-18-11-4-2-1-3-5-11/h1-8,18H.
What are the key properties of N-[(2,3,5-trifluorophenyl)methylideneamino]aniline?
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline has a molecular weight of 250.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,5-trifluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169381722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).