5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one

C15H18FNO — CID 106986680

IUPAC5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C15H18FNO/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15(14)18/h6-10,14H,2-5H2,1H3,(H,17,18)
InChIKeyAHMAJZPBAOKFCE-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.69
Rot. Bonds1

About 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one

5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one (PubChem CID 106986680) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
PubChem CID106986680
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C15H18FNO/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15(14)18/h6-10,14H,2-5H2,1H3,(H,17,18)
InChIKeyAHMAJZPBAOKFCE-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986932
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986568
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
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
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
CID 106987125
7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 123421201
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one (CID 106986680) is 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one is CC1CCC(C2C(=O)Nc3ccc(F)cc32)CC1.
What is the InChIKey of 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The InChIKey is AHMAJZPBAOKFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15(14)18/h6-10,14H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one has a molecular weight of 247.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).