6-(trifluoromethyl)-1,3-dihydroindol-2-one

C9H6F3NO — CID 608487

IUPAC6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)
InChIKeyLZPKWQOLOCLSBO-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.20
Rot. Bonds

About 6-(trifluoromethyl)-1,3-dihydroindol-2-one

6-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 608487) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID608487
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)
InChIKeyLZPKWQOLOCLSBO-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 608487) is 6-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1,3-dihydroindol-2-one is O=C1Cc2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of 6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is LZPKWQOLOCLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14).
What are the key properties of 6-(trifluoromethyl)-1,3-dihydroindol-2-one?
6-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 201.15 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 608487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).