[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium

C15H12ClF3N+ — CID 135086003

IUPAC[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium
SMILESCc1ccc(C(=[NH2+])c2cccc(C(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H11ClF3N/c1-9-5-7-10(8-6-9)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8,20H,1H3/p+1
InChIKeyDUGIDGLOPRATOK-UHFFFAOYSA-O
MW298.72 g/mol
LogP3.26
Rot. Bonds2

About [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium

[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium (PubChem CID 135086003) has the molecular formula C15H12ClF3N+ and a molecular weight of 298.72 g/mol. Its IUPAC name is [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium.

Molecular Properties

Compound Name[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium
PubChem CID135086003
Molecular FormulaC15H12ClF3N+
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium
SMILESCc1ccc(C(=[NH2+])c2cccc(C(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H11ClF3N/c1-9-5-7-10(8-6-9)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8,20H,1H3/p+1
InChIKeyDUGIDGLOPRATOK-UHFFFAOYSA-O
XLogP3.26
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 174965122
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2-bromo-1-[2-chloro-3-(trifluoromethyl)phenyl]propan-1-one
CID 134619070
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 129153076
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
2-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-difluoroacetic acid
CID 171591321
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
2-methyl-3-(trifluoromethyl)benzenecarbothioic S-acid
CID 54402075
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930

Frequently Asked Questions

What is the IUPAC name of [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium?
The IUPAC name of [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium (CID 135086003) is [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium.
What is the SMILES notation for [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium?
The canonical SMILES for [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium is Cc1ccc(C(=[NH2+])c2cccc(C(F)(F)F)c2Cl)cc1.
What is the InChIKey of [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium?
The InChIKey is DUGIDGLOPRATOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11ClF3N/c1-9-5-7-10(8-6-9)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8,20H,1H3/p+1.
What are the key properties of [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium?
[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium has a molecular weight of 298.72 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium is sourced from PubChem (CID 135086003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).