1-[4-(trifluoromethyl)phenyl]ethylideneazanium

C9H9F3N+ — CID 135085394

IUPAC1-[4-(trifluoromethyl)phenyl]ethylideneazanium
SMILESCC(=[NH2+])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,1H3/p+1
InChIKeyWGDKTFCPYSCZQB-UHFFFAOYSA-O
MW188.17 g/mol
LogP1.27
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]ethylideneazanium

1-[4-(trifluoromethyl)phenyl]ethylideneazanium (PubChem CID 135085394) has the molecular formula C9H9F3N+ and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]ethylideneazanium.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]ethylideneazanium
PubChem CID135085394
Molecular FormulaC9H9F3N+
Molecular Weight188.17 g/mol
Exact Mass188.07
IUPAC Name1-[4-(trifluoromethyl)phenyl]ethylideneazanium
SMILESCC(=[NH2+])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,1H3/p+1
InChIKeyWGDKTFCPYSCZQB-UHFFFAOYSA-O
XLogP1.27
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.27
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

Benzophenone imine
CID 136809
2-[(E)-1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 9573034
2-[[(4-Fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 29893
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
(1Z)-1-(4-Methylphenyl)ethanone oxime
CID 5385523
Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oxime
CID 280810
(NE)-N-[2-(3,4-difluorophenyl)-3-ethylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11579567
Guanidine, ((p-fluoro-alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzylidene)amino)-
CID 5475188
Acetophenone, 4'-ethyl-, oxime
CID 5356505
2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781
2-[(Z)-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]ethylideneazanium?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]ethylideneazanium (CID 135085394) is 1-[4-(trifluoromethyl)phenyl]ethylideneazanium.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]ethylideneazanium?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]ethylideneazanium is CC(=[NH2+])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]ethylideneazanium?
The InChIKey is WGDKTFCPYSCZQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,1H3/p+1.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]ethylideneazanium?
1-[4-(trifluoromethyl)phenyl]ethylideneazanium has a molecular weight of 188.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]ethylideneazanium is sourced from PubChem (CID 135085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).