3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one

C15H18FNO — CID 106986983

IUPAC3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyURBJNZBPBMGSLZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.83
Rot. Bonds2

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

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 106986983) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID106986983
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyURBJNZBPBMGSLZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (CID 106986983) is 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is URBJNZBPBMGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18).
What are the key properties of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 247.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).