N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine

C15H12F3N — CID 177400507

IUPACN-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
SMILESC/C(=[15N]\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H3/b19-11+/i19+1
InChIKeyFSNVUIDWCYKPAV-FIKRNVAJSA-N
MW264.26 g/mol
LogP4.85
Rot. Bonds2

About N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine

N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine (PubChem CID 177400507) has the molecular formula C15H12F3N and a molecular weight of 264.26 g/mol. Its IUPAC name is N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine.

Molecular Properties

Compound NameN-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
PubChem CID177400507
Molecular FormulaC15H12F3N
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
SMILESC/C(=[15N]\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H3/b19-11+/i19+1
InChIKeyFSNVUIDWCYKPAV-FIKRNVAJSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 54.85
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-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 10340860
CID 101352816
CID 101352816
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-[5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-[4-(trifluoromethyl)phenyl]ethanimine
CID 20701862
ethane;bis(trifluoromethylbenzene)
CID 142912000
bis(2-[C-methyl-N-[4-(trifluoromethyl)phenyl]carbonimidoyl]-3,4-dihydronaphthalen-1-olate);nickel(2+)
CID 139204042
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine?
The IUPAC name of N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine (CID 177400507) is N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine.
What is the SMILES notation for N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine?
The canonical SMILES for N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine is C/C(=[15N]\c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine?
The InChIKey is FSNVUIDWCYKPAV-FIKRNVAJSA-N. The full InChI is InChI=1S/C15H12F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H3/b19-11+/i19+1.
What are the key properties of N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine?
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine has a molecular weight of 264.26 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine is sourced from PubChem (CID 177400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).