[4-(trifluoromethyl)phenyl]methanimine

C8H6F3N — CID 19001514

IUPAC[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5,12H/b12-5+
InChIKeyWUBFVZMTVRMNGI-LFYBBSHMSA-N
MW173.14 g/mol
LogP2.70
Rot. Bonds1

About [4-(trifluoromethyl)phenyl]methanimine

[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 19001514) has the molecular formula C8H6F3N and a molecular weight of 173.14 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methanimine
PubChem CID19001514
Molecular FormulaC8H6F3N
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5,12H/b12-5+
InChIKeyWUBFVZMTVRMNGI-LFYBBSHMSA-N
XLogP2.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)phenyl]methanimine 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

CID 9560223
CID 9560223
CID 11817416
CID 11817416
CID 46937129
CID 46937129
CID 9570011
CID 9570011
CID 3056297
CID 3056297
CID 9588261
CID 9588261
CID 12219781
CID 12219781
CID 5474365
CID 5474365
CID 9560760
CID 9560760
CID 71584304
CID 71584304
CID 142575059
CID 142575059
CID 428166
CID 428166

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of [4-(trifluoromethyl)phenyl]methanimine (CID 19001514) is [4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methanimine is [H]/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is WUBFVZMTVRMNGI-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H6F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5,12H/b12-5+.
What are the key properties of [4-(trifluoromethyl)phenyl]methanimine?
[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 173.14 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 19001514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).