1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

C17H12F3N — CID 159650311

IUPAC1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/N=C/C2=CCc3ccccc32)c1
InChIInChI=1S/C17H12F3N/c18-17(19,20)14-5-3-6-15(10-14)21-11-13-9-8-12-4-1-2-7-16(12)13/h1-7,9-11H,8H2/b21-11+
InChIKeyMRMCIAGLTCPSES-SRZZPIQSSA-N
MW287.28 g/mol
LogP5.05
Rot. Bonds2

About 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 159650311) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID159650311
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/N=C/C2=CCc3ccccc32)c1
InChIInChI=1S/C17H12F3N/c18-17(19,20)14-5-3-6-15(10-14)21-11-13-9-8-12-4-1-2-7-16(12)13/h1-7,9-11H,8H2/b21-11+
InChIKeyMRMCIAGLTCPSES-SRZZPIQSSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.05
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

1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
3-[4-(trifluoromethyl)phenyl]-1H-indene
CID 90234386
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]iminomethyl]chromen-2-one
CID 135460928
6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrimidin-4-one
CID 872788
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008

Frequently Asked Questions

What is the IUPAC name of 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 159650311) is 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/N=C/C2=CCc3ccccc32)c1.
What is the InChIKey of 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is MRMCIAGLTCPSES-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H12F3N/c18-17(19,20)14-5-3-6-15(10-14)21-11-13-9-8-12-4-1-2-7-16(12)13/h1-7,9-11H,8H2/b21-11+.
What are the key properties of 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 287.28 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 159650311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).