N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine

C21H13F6N — CID 10949236

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)c1cc(N=C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H13F6N/c22-20(23,24)16-11-17(21(25,26)27)13-18(12-16)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyUBUNCNJIPBTHBH-UHFFFAOYSA-N
MW393.33 g/mol
LogP6.89
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine

N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine (PubChem CID 10949236) has the molecular formula C21H13F6N and a molecular weight of 393.33 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine
PubChem CID10949236
Molecular FormulaC21H13F6N
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)c1cc(N=C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H13F6N/c22-20(23,24)16-11-17(21(25,26)27)13-18(12-16)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyUBUNCNJIPBTHBH-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'}

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine 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

N-(Diphenylmethylene)aniline
CID 219140
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)propane-1,3-diimine
CID 155542761
Nitrone, triphenyl-
CID 244975
2-phenyl-4-(1,1,2,2-tetrafluoroethyl)-3H-1,5-benzodiazepine
CID 690695
2-phenyl-4-(1,2,2,2-tetrafluoroethyl)-3H-1,5-benzodiazepine
CID 168272138
N-Benzylidene-3-(trifluoromethyl)aniline
CID 694246
Benzenamine, N-[bis(4-fluorophenyl)methylene]-
CID 2317228
(3,4-Dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
CID 2818132
N-(1-Phenylethylidene)-2-(trifluoromethyl)aniline
CID 12585592
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
N,2,2-triphenylethenimine
CID 596998
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 23729745

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine (CID 10949236) is N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine is FC(F)(F)c1cc(N=C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is UBUNCNJIPBTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N/c22-20(23,24)16-11-17(21(25,26)27)13-18(12-16)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine?
N-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine 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-[3,5-bis(trifluoromethyl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 10949236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).