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

C11H12FNO — CID 80501015

IUPAC7-fluoro-3,3,4-trimethyl-1H-indol-2-one
SMILESCc1ccc(F)c2c1C(C)(C)C(=O)N2
InChIInChI=1S/C11H12FNO/c1-6-4-5-7(12)9-8(6)11(2,3)10(14)13-9/h4-5H,1-3H3,(H,13,14)
InChIKeyZASBBBNSUZVZCF-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.36
Rot. Bonds

About 7-fluoro-3,3,4-trimethyl-1H-indol-2-one

7-fluoro-3,3,4-trimethyl-1H-indol-2-one (PubChem CID 80501015) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-3,3,4-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-3,3,4-trimethyl-1H-indol-2-one
PubChem CID80501015
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-fluoro-3,3,4-trimethyl-1H-indol-2-one
SMILESCc1ccc(F)c2c1C(C)(C)C(=O)N2
InChIInChI=1S/C11H12FNO/c1-6-4-5-7(12)9-8(6)11(2,3)10(14)13-9/h4-5H,1-3H3,(H,13,14)
InChIKeyZASBBBNSUZVZCF-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
3,3-Diphenyloxindole
CID 3474538
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039
3-Ethylideneindolin-2-one
CID 12331358

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3,4-trimethyl-1H-indol-2-one?
The IUPAC name of 7-fluoro-3,3,4-trimethyl-1H-indol-2-one (CID 80501015) is 7-fluoro-3,3,4-trimethyl-1H-indol-2-one.
What is the SMILES notation for 7-fluoro-3,3,4-trimethyl-1H-indol-2-one?
The canonical SMILES for 7-fluoro-3,3,4-trimethyl-1H-indol-2-one is Cc1ccc(F)c2c1C(C)(C)C(=O)N2.
What is the InChIKey of 7-fluoro-3,3,4-trimethyl-1H-indol-2-one?
The InChIKey is ZASBBBNSUZVZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6-4-5-7(12)9-8(6)11(2,3)10(14)13-9/h4-5H,1-3H3,(H,13,14).
What are the key properties of 7-fluoro-3,3,4-trimethyl-1H-indol-2-one?
7-fluoro-3,3,4-trimethyl-1H-indol-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3,4-trimethyl-1H-indol-2-one is sourced from PubChem (CID 80501015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).