1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole

C15H12F3N — CID 65046620

IUPAC1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)c1cccc(C2NCc3ccccc32)c1
InChIInChI=1S/C15H12F3N/c16-15(17,18)12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-19-14/h1-8,14,19H,9H2
InChIKeyPYCWEJMKMYXJFM-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.90
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole

1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole (PubChem CID 65046620) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
PubChem CID65046620
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)c1cccc(C2NCc3ccccc32)c1
InChIInChI=1S/C15H12F3N/c16-15(17,18)12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-19-14/h1-8,14,19H,9H2
InChIKeyPYCWEJMKMYXJFM-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole (CID 65046620) is 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole is FC(F)(F)c1cccc(C2NCc3ccccc32)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole?
The InChIKey is PYCWEJMKMYXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N/c16-15(17,18)12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-19-14/h1-8,14,19H,9H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole?
1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole has a molecular weight of 263.26 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65046620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).