7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one

C14H18FNO2 — CID 82173571

IUPAC7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXTGIMODKOSYXMU-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.10
Rot. Bonds4

About 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one

7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173571) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173571
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXTGIMODKOSYXMU-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173579
5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172640
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173622
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172936
5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173710
methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
CID 82667149
7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172971
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173521
3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one
CID 114994766
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (CID 82173571) is 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is CCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is XTGIMODKOSYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 251.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).