3a-fluoro-1,3,3-trimethyl-4H-indol-2-one

C11H14FNO — CID 141394908

IUPAC3a-fluoro-1,3,3-trimethyl-4H-indol-2-one
SMILESCN1C(=O)C(C)(C)C2(F)CC=CC=C12
InChIInChI=1S/C11H14FNO/c1-10(2)9(14)13(3)8-6-4-5-7-11(8,10)12/h4-6H,7H2,1-3H3
InChIKeyVPPUTVQWICGGPS-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.04
Rot. Bonds

About 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one

3a-fluoro-1,3,3-trimethyl-4H-indol-2-one (PubChem CID 141394908) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one.

Molecular Properties

Compound Name3a-fluoro-1,3,3-trimethyl-4H-indol-2-one
PubChem CID141394908
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3a-fluoro-1,3,3-trimethyl-4H-indol-2-one
SMILESCN1C(=O)C(C)(C)C2(F)CC=CC=C12
InChIInChI=1S/C11H14FNO/c1-10(2)9(14)13(3)8-6-4-5-7-11(8,10)12/h4-6H,7H2,1-3H3
InChIKeyVPPUTVQWICGGPS-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3a-fluoro-1,3,3-trimethyl-4H-indol-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 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one?
The IUPAC name of 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one (CID 141394908) is 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one.
What is the SMILES notation for 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one?
The canonical SMILES for 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one is CN1C(=O)C(C)(C)C2(F)CC=CC=C12.
What is the InChIKey of 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one?
The InChIKey is VPPUTVQWICGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-10(2)9(14)13(3)8-6-4-5-7-11(8,10)12/h4-6H,7H2,1-3H3.
What are the key properties of 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one?
3a-fluoro-1,3,3-trimethyl-4H-indol-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-1,3,3-trimethyl-4H-indol-2-one is sourced from PubChem (CID 141394908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).