5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole

C19H18F3N — CID 59726188

IUPAC5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole
SMILESCc1ccc2c(c1)CN(C/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3N/c1-14-4-7-16-12-23(13-17(16)11-14)10-2-3-15-5-8-18(9-6-15)19(20,21)22/h2-9,11H,10,12-13H2,1H3/b3-2+
InChIKeyQKOGKWYAMTYXBH-NSCUHMNNSA-N
MW317.35 g/mol
LogP5.04
Rot. Bonds3

About 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole

5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole (PubChem CID 59726188) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole
PubChem CID59726188
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole
SMILESCc1ccc2c(c1)CN(C/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3N/c1-14-4-7-16-12-23(13-17(16)11-14)10-2-3-15-5-8-18(9-6-15)19(20,21)22/h2-9,11H,10,12-13H2,1H3/b3-2+
InChIKeyQKOGKWYAMTYXBH-NSCUHMNNSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole?
The IUPAC name of 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole (CID 59726188) is 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole?
The canonical SMILES for 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole is Cc1ccc2c(c1)CN(C/C=C/c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole?
The InChIKey is QKOGKWYAMTYXBH-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H18F3N/c1-14-4-7-16-12-23(13-17(16)11-14)10-2-3-15-5-8-18(9-6-15)19(20,21)22/h2-9,11H,10,12-13H2,1H3/b3-2+.
What are the key properties of 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole?
5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole has a molecular weight of 317.35 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole is sourced from PubChem (CID 59726188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).