7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one

C15H10F3NO — CID 15315314

IUPAC7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C15H10F3NO/c16-15(17,18)11-6-4-9(5-7-11)12-3-1-2-10-8-19-14(20)13(10)12/h1-7H,8H2,(H,19,20)
InChIKeyJIKJOYBXVVEWED-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.62
Rot. Bonds1

About 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one

7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one (PubChem CID 15315314) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
PubChem CID15315314
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C15H10F3NO/c16-15(17,18)11-6-4-9(5-7-11)12-3-1-2-10-8-19-14(20)13(10)12/h1-7H,8H2,(H,19,20)
InChIKeyJIKJOYBXVVEWED-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one (CID 15315314) is 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3ccc(C(F)(F)F)cc3)c21.
What is the InChIKey of 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one?
The InChIKey is JIKJOYBXVVEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)11-6-4-9(5-7-11)12-3-1-2-10-8-19-14(20)13(10)12/h1-7H,8H2,(H,19,20).
What are the key properties of 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one?
7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one has a molecular weight of 277.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 15315314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).