6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one

C11H14FNO — CID 166893340

IUPAC6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one
SMILESCC1(C)C(=O)NC2C=C(F)C=CC21C
InChIInChI=1S/C11H14FNO/c1-10(2)9(14)13-8-6-7(12)4-5-11(8,10)3/h4-6,8H,1-3H3,(H,13,14)
InChIKeyXGPVLEMZUADCPA-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.94
Rot. Bonds

About 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one

6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one (PubChem CID 166893340) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one
PubChem CID166893340
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one
SMILESCC1(C)C(=O)NC2C=C(F)C=CC21C
InChIInChI=1S/C11H14FNO/c1-10(2)9(14)13-8-6-7(12)4-5-11(8,10)3/h4-6,8H,1-3H3,(H,13,14)
InChIKeyXGPVLEMZUADCPA-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one (CID 166893340) is 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one is CC1(C)C(=O)NC2C=C(F)C=CC21C.
What is the InChIKey of 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one?
The InChIKey is XGPVLEMZUADCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-10(2)9(14)13-8-6-7(12)4-5-11(8,10)3/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one?
6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one has a molecular weight of 195.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3,3a-trimethyl-1,7a-dihydroindol-2-one is sourced from PubChem (CID 166893340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).