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

C15H12F3N — CID 954445

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C15H12F3N/c16-15(17,18)13-6-3-7-14(8-13)19-9-11-4-1-2-5-12(11)10-19/h1-8H,9-10H2
InChIKeyHGAULHVOKRFGLQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP4.23
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (PubChem CID 954445) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
PubChem CID954445
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C15H12F3N/c16-15(17,18)13-6-3-7-14(8-13)19-9-11-4-1-2-5-12(11)10-19/h1-8H,9-10H2
InChIKeyHGAULHVOKRFGLQ-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (CID 954445) is 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is FC(F)(F)c1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The InChIKey is HGAULHVOKRFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N/c16-15(17,18)13-6-3-7-14(8-13)19-9-11-4-1-2-5-12(11)10-19/h1-8H,9-10H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole has a molecular weight of 263.26 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is sourced from PubChem (CID 954445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).