[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium

C15H10Cl2F6N3+ — CID 21065082

IUPAC[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
SMILESN/C(Nc1ccc(Cl)c(C(F)(F)F)c1)=[NH+]\c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F6N3/c16-11-3-1-7(5-9(11)14(18,19)20)25-13(24)26-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H3,24,25,26)/p+1
InChIKeyPHRHZVGUINRMNA-UHFFFAOYSA-O
MW417.16 g/mol
LogP4.17
Rot. Bonds2

About [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium

[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium (PubChem CID 21065082) has the molecular formula C15H10Cl2F6N3+ and a molecular weight of 417.16 g/mol. Its IUPAC name is [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Name[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
PubChem CID21065082
Molecular FormulaC15H10Cl2F6N3+
Molecular Weight417.16 g/mol
Exact Mass416.02
IUPAC Name[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
SMILESN/C(Nc1ccc(Cl)c(C(F)(F)F)c1)=[NH+]\c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F6N3/c16-11-3-1-7(5-9(11)14(18,19)20)25-13(24)26-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H3,24,25,26)/p+1
InChIKeyPHRHZVGUINRMNA-UHFFFAOYSA-O
XLogP4.17
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.16
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
CID 59135399
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
[4-chloro-3-(trifluoromethyl)phenyl]-(diaminomethylidene)azanium nitrate
CID 69060148
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
CID 147351082
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea;hydroiodide
CID 87582100
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846

Frequently Asked Questions

What is the IUPAC name of [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The IUPAC name of [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium (CID 21065082) is [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium is N/C(Nc1ccc(Cl)c(C(F)(F)F)c1)=[NH+]\c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The InChIKey is PHRHZVGUINRMNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9Cl2F6N3/c16-11-3-1-7(5-9(11)14(18,19)20)25-13(24)26-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H3,24,25,26)/p+1.
What are the key properties of [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium has a molecular weight of 417.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 21065082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).