N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

C14H6ClF7N2 — CID 134123964

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C14H6ClF7N2/c15-7-3-1-2-6(4-7)5-23-24-13-11(18)9(16)8(14(20,21)22)10(17)12(13)19/h1-5,24H/b23-5+
InChIKeyIDFKSJAKRZOLAV-MUDSWDHVSA-N
MW370.66 g/mol
LogP5.36
Rot. Bonds3

About N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (PubChem CID 134123964) has the molecular formula C14H6ClF7N2 and a molecular weight of 370.66 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
PubChem CID134123964
Molecular FormulaC14H6ClF7N2
Molecular Weight370.66 g/mol
Exact Mass370.01
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C14H6ClF7N2/c15-7-3-1-2-6(4-7)5-23-24-13-11(18)9(16)8(14(20,21)22)10(17)12(13)19/h1-5,24H/b23-5+
InChIKeyIDFKSJAKRZOLAV-MUDSWDHVSA-N
XLogP5.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 55.36
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'}

Analyze N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
N-[(E)-(2,6-dinitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134108768
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 5004761
2,3,5,6-tetrafluoro-N-[(4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 5004757
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135716080
2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137060145
N-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 3110875
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
2,3,5,6-tetrafluoro-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]-4-(trifluoromethyl)aniline
CID 2859728

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (CID 134123964) is N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The InChIKey is IDFKSJAKRZOLAV-MUDSWDHVSA-N. The full InChI is InChI=1S/C14H6ClF7N2/c15-7-3-1-2-6(4-7)5-23-24-13-11(18)9(16)8(14(20,21)22)10(17)12(13)19/h1-5,24H/b23-5+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline has a molecular weight of 370.66 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 134123964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).