2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one

C15H10F3NO — CID 71742085

IUPAC2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(19)20/h1-8H,9H2
InChIKeySUYKVPJSYFCEFI-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.87
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one

2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one (PubChem CID 71742085) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one
PubChem CID71742085
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(19)20/h1-8H,9H2
InChIKeySUYKVPJSYFCEFI-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.87
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]-3H-isoindol-1-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one (CID 71742085) is 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one?
The InChIKey is SUYKVPJSYFCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(19)20/h1-8H,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one?
2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-one has a molecular weight of 277.25 g/mol, XLogP of 3.87, 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]-3H-isoindol-1-one is sourced from PubChem (CID 71742085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).