3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one

C12H14FNO — CID 106986875

IUPAC3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FNO/c1-12(2,3)10-8-6-7(13)4-5-9(8)14-11(10)15/h4-6,10H,1-3H3,(H,14,15)
InChIKeyPKJZDYFAKIXWRY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.91
Rot. Bonds

About 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one

3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 106986875) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID106986875
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FNO/c1-12(2,3)10-8-6-7(13)4-5-9(8)14-11(10)15/h4-6,10H,1-3H3,(H,14,15)
InChIKeyPKJZDYFAKIXWRY-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
6-fluoro-3-methyl-4-oxo-1,3-dihydroquinoxalin-4-ium-2-one
CID 21366417
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897
7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 15337296
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one (CID 106986875) is 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one is CC(C)(C)C1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is PKJZDYFAKIXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,3)10-8-6-7(13)4-5-9(8)14-11(10)15/h4-6,10H,1-3H3,(H,14,15).
What are the key properties of 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one?
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).