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

C15H18FNO — CID 106986686

IUPAC7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3c(F)cccc32)CC1
InChIInChI=1S/C15H18FNO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(16)14(11)17-15(13)18/h2-4,9-10,13H,5-8H2,1H3,(H,17,18)
InChIKeyXBLVPFOGSYESAK-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.69
Rot. Bonds1

About 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one

7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one (PubChem CID 106986686) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
PubChem CID106986686
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3c(F)cccc32)CC1
InChIInChI=1S/C15H18FNO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(16)14(11)17-15(13)18/h2-4,9-10,13H,5-8H2,1H3,(H,17,18)
InChIKeyXBLVPFOGSYESAK-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

3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106986949
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986568
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
7-fluoro-3-octyl-1,3-dihydroindol-2-one
CID 106820157
5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401385
3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986942
3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
CID 106987028
8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one
CID 105461666
6-fluoro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 115098328
7-fluoro-2'-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702100
tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
CID 155681321

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one (CID 106986686) is 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one is CC1CCC(C2C(=O)Nc3c(F)cccc32)CC1.
What is the InChIKey of 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
The InChIKey is XBLVPFOGSYESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(16)14(11)17-15(13)18/h2-4,9-10,13H,5-8H2,1H3,(H,17,18).
What are the key properties of 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one?
7-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 7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).