4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one

C10H5F6NO — CID 53404079

IUPAC4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1
InChIInChI=1S/C10H5F6NO/c11-9(12,13)4-1-6(10(14,15)16)5-3-8(18)17-7(5)2-4/h1-2H,3H2,(H,17,18)
InChIKeyHLVRZEWWTDSSDH-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.22
Rot. Bonds

About 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one

4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 53404079) has the molecular formula C10H5F6NO and a molecular weight of 269.14 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID53404079
Molecular FormulaC10H5F6NO
Molecular Weight269.14 g/mol
Exact Mass269.03
IUPAC Name4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1
InChIInChI=1S/C10H5F6NO/c11-9(12,13)4-1-6(10(14,15)16)5-3-8(18)17-7(5)2-4/h1-2H,3H2,(H,17,18)
InChIKeyHLVRZEWWTDSSDH-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,6-bis(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 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one (CID 53404079) is 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one is O=C1Cc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1.
What is the InChIKey of 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is HLVRZEWWTDSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO/c11-9(12,13)4-1-6(10(14,15)16)5-3-8(18)17-7(5)2-4/h1-2H,3H2,(H,17,18).
What are the key properties of 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one?
4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 269.14 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 53404079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).