N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine

C17H10F6N2 — CID 23578757

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine
SMILESFC(F)(F)c1cc(/N=C/c2cccc3cc[nH]c23)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-9,24H/b25-9+
InChIKeyUSCNCWVSOUKDTC-YCPBAFNGSA-N
MW356.27 g/mol
LogP5.96
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine

N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine (PubChem CID 23578757) has the molecular formula C17H10F6N2 and a molecular weight of 356.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine
PubChem CID23578757
Molecular FormulaC17H10F6N2
Molecular Weight356.27 g/mol
Exact Mass356.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine
SMILESFC(F)(F)c1cc(/N=C/c2cccc3cc[nH]c23)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-9,24H/b25-9+
InChIKeyUSCNCWVSOUKDTC-YCPBAFNGSA-N
XLogP5.96
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-7-yl)-N-naphthalen-1-ylmethanimine
CID 23578067
1-(1H-indol-7-yl)-N-(2-methylphenyl)methanimine
CID 91580370
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
2-tert-butyl-6-[[3-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137082080
3-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,2-diol
CID 137048025
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137068909
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
3-[(4-fluorophenyl)methyl]-4-[(E)-1H-indol-7-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 166182844
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
CID 166223789

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine (CID 23578757) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine is FC(F)(F)c1cc(/N=C/c2cccc3cc[nH]c23)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine?
The InChIKey is USCNCWVSOUKDTC-YCPBAFNGSA-N. The full InChI is InChI=1S/C17H10F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-9,24H/b25-9+.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine has a molecular weight of 356.27 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine is sourced from PubChem (CID 23578757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).