2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole

C15H11ClF3N — CID 954428

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cc(N2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C15H11ClF3N/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-3-1-2-4-11(10)9-20/h1-7H,8-9H2
InChIKeyLZZVOUGVDXETPL-UHFFFAOYSA-N
MW297.71 g/mol
LogP4.88
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole

2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (PubChem CID 954428) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
PubChem CID954428
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cc(N2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C15H11ClF3N/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-3-1-2-4-11(10)9-20/h1-7H,8-9H2
InChIKeyLZZVOUGVDXETPL-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (CID 954428) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is FC(F)(F)c1cc(N2Cc3ccccc3C2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The InChIKey is LZZVOUGVDXETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-3-1-2-4-11(10)9-20/h1-7H,8-9H2.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole has a molecular weight of 297.71 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is sourced from PubChem (CID 954428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).