1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene

C16H13F3O — CID 10945762

IUPAC1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene
SMILESFC(F)(F)c1ccc(C2OCCc3ccccc32)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15H,9-10H2
InChIKeyUZUHEGITXRUIJU-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.37
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene

1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene (PubChem CID 10945762) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene
PubChem CID10945762
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene
SMILESFC(F)(F)c1ccc(C2OCCc3ccccc32)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15H,9-10H2
InChIKeyUZUHEGITXRUIJU-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene (CID 10945762) is 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene is FC(F)(F)c1ccc(C2OCCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene?
The InChIKey is UZUHEGITXRUIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15H,9-10H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene?
1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene has a molecular weight of 278.27 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 10945762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).