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

C9H5F4NO — CID 124938881

IUPAC(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1F
InChIInChI=1S/C9H5F4NO/c10-7-5-2-1-4(9(11,12)13)3-6(5)14-8(7)15/h1-3,7H,(H,14,15)/t7-/m0/s1
InChIKeyWHNNUZIGIVYACR-ZETCQYMHSA-N
MW219.14 g/mol
LogP2.67
Rot. Bonds

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

(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 124938881) has the molecular formula C9H5F4NO and a molecular weight of 219.14 g/mol. Its IUPAC name is (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID124938881
Molecular FormulaC9H5F4NO
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1F
InChIInChI=1S/C9H5F4NO/c10-7-5-2-1-4(9(11,12)13)3-6(5)14-8(7)15/h1-3,7H,(H,14,15)/t7-/m0/s1
InChIKeyWHNNUZIGIVYACR-ZETCQYMHSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 124938881) is (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1F.
What is the InChIKey of (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is WHNNUZIGIVYACR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H5F4NO/c10-7-5-2-1-4(9(11,12)13)3-6(5)14-8(7)15/h1-3,7H,(H,14,15)/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 219.14 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 124938881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).