2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine

C15H11F3N2 — CID 3849972

IUPAC2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)11-5-3-6-12(8-11)20-9-10-4-1-2-7-13(10)14(20)19/h1-8,19H,9H2/b19-14+
InChIKeyVNYZXAWPYYMSBK-XMHGGMMESA-N
MW276.26 g/mol
LogP4.05
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine

2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine (PubChem CID 3849972) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
PubChem CID3849972
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)11-5-3-6-12(8-11)20-9-10-4-1-2-7-13(10)14(20)19/h1-8,19H,9H2/b19-14+
InChIKeyVNYZXAWPYYMSBK-XMHGGMMESA-N
XLogP4.05
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.05
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

2-[4-bromo-3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
CID 60648787
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801
2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
CID 79049664
2-(4-fluoro-3-methoxyphenyl)-3H-isoindol-1-imine
CID 114840084
3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine
CID 58974944
4-(1,3-benzothiazol-2-yl)-5-imino-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
CID 135467326
1-[4-(3-imino-1H-isoindol-2-yl)phenyl]ethanone
CID 4101508
2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44667451
4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide
CID 2342968
methyl 4-(3-imino-1H-isoindol-2-yl)benzoate
CID 1211030
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-imino-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
CID 135888374
5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
CID 18634889

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine (CID 3849972) is 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine?
The InChIKey is VNYZXAWPYYMSBK-XMHGGMMESA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)11-5-3-6-12(8-11)20-9-10-4-1-2-7-13(10)14(20)19/h1-8,19H,9H2/b19-14+.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine?
2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine has a molecular weight of 276.26 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine is sourced from PubChem (CID 3849972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).