3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one

C16H20FNO — CID 106987028

IUPAC3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(F)cccc2C1CCC1CCCCC1
InChIInChI=1S/C16H20FNO/c17-14-8-4-7-12-13(16(19)18-15(12)14)10-9-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyMHSKPOLXHYFEAN-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.22
Rot. Bonds3

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

3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 106987028) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
PubChem CID106987028
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(F)cccc2C1CCC1CCCCC1
InChIInChI=1S/C16H20FNO/c17-14-8-4-7-12-13(16(19)18-15(12)14)10-9-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyMHSKPOLXHYFEAN-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
7-fluoro-3-octyl-1,3-dihydroindol-2-one
CID 106820157
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one
CID 105461666
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84621055
5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401385
8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 105495990
7-methyl-3-(piperidin-3-ylmethyl)-1,3-dihydroindol-2-one
CID 84631458
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
(3R)-3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51777322

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one (CID 106987028) is 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one is O=C1Nc2c(F)cccc2C1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is MHSKPOLXHYFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-8-4-7-12-13(16(19)18-15(12)14)10-9-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one?
3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 261.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).