1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole

C16H14F3N — CID 65046308

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)c1ccc(CC2NCc3ccccc32)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2
InChIKeyBLVFQOJUTNWOIJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.09
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole

1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole (PubChem CID 65046308) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
PubChem CID65046308
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)c1ccc(CC2NCc3ccccc32)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2
InChIKeyBLVFQOJUTNWOIJ-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole (CID 65046308) is 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole is FC(F)(F)c1ccc(CC2NCc3ccccc32)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is BLVFQOJUTNWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole?
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 277.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65046308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).