N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine

C21H13F6N — CID 2317227

IUPACN-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C(=Nc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H13F6N/c22-20(23,24)16-10-6-14(7-11-16)19(28-18-4-2-1-3-5-18)15-8-12-17(13-9-15)21(25,26)27/h1-13H
InChIKeyAMSPEPRIBOWIRU-UHFFFAOYSA-N
MW393.33 g/mol
LogP6.89
Rot. Bonds3

About N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine

N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 2317227) has the molecular formula C21H13F6N and a molecular weight of 393.33 g/mol. Its IUPAC name is N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
PubChem CID2317227
Molecular FormulaC21H13F6N
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC NameN-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C(=Nc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H13F6N/c22-20(23,24)16-10-6-14(7-11-16)19(28-18-4-2-1-3-5-18)15-8-12-17(13-9-15)21(25,26)27/h1-13H
InChIKeyAMSPEPRIBOWIRU-UHFFFAOYSA-N
XLogP6.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
CID 101352816
CID 101352816
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine
CID 88974937
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
CID 161391832
CID 161391832
6-(benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 155234185
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine (CID 2317227) is N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(C(=Nc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is AMSPEPRIBOWIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N/c22-20(23,24)16-10-6-14(7-11-16)19(28-18-4-2-1-3-5-18)15-8-12-17(13-9-15)21(25,26)27/h1-13H.
What are the key properties of N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 393.33 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2317227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).