(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C19H17F3N2 — CID 2346200

IUPAC(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C/C=N/c2ccc(F)c(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C19H17F3N2/c1-19(2)12-6-4-5-7-15(12)24(3)16(19)10-11-23-14-9-8-13(20)17(21)18(14)22/h4-11H,1-3H3/b16-10+,23-11+
InChIKeyGAOZDBAVQWGMEG-QUCSAUPBSA-N
MW330.35 g/mol
LogP5.12
Rot. Bonds2

About (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 2346200) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID2346200
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C/C=N/c2ccc(F)c(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C19H17F3N2/c1-19(2)12-6-4-5-7-15(12)24(3)16(19)10-11-23-14-9-8-13(20)17(21)18(14)22/h4-11H,1-3H3/b16-10+,23-11+
InChIKeyGAOZDBAVQWGMEG-QUCSAUPBSA-N
XLogP5.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 2346200) is (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1/C(=C/C=N/c2ccc(F)c(F)c2F)C(C)(C)c2ccccc21.
What is the InChIKey of (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is GAOZDBAVQWGMEG-QUCSAUPBSA-N. The full InChI is InChI=1S/C19H17F3N2/c1-19(2)12-6-4-5-7-15(12)24(3)16(19)10-11-23-14-9-8-13(20)17(21)18(14)22/h4-11H,1-3H3/b16-10+,23-11+.
What are the key properties of (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 330.35 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 2346200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).