7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one

C11H14FNO — CID 141394978

IUPAC7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=CC(F)=C21
InChIInChI=1S/C11H14FNO/c1-11(2)7-5-4-6-8(12)9(7)13(3)10(11)14/h4,6-7H,5H2,1-3H3
InChIKeyAYWFUZBEXFGCRE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.24
Rot. Bonds

About 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one

7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one (PubChem CID 141394978) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
PubChem CID141394978
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=CC(F)=C21
InChIInChI=1S/C11H14FNO/c1-11(2)7-5-4-6-8(12)9(7)13(3)10(11)14/h4,6-7H,5H2,1-3H3
InChIKeyAYWFUZBEXFGCRE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The IUPAC name of 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one (CID 141394978) is 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one is CN1C(=O)C(C)(C)C2CC=CC(F)=C21.
What is the InChIKey of 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The InChIKey is AYWFUZBEXFGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2)7-5-4-6-8(12)9(7)13(3)10(11)14/h4,6-7H,5H2,1-3H3.
What are the key properties of 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).