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

C12H14FNO2 — CID 2771854

IUPAC5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCO
InChIInChI=1S/C12H14FNO2/c13-8-4-5-11-10(7-8)9(12(16)14-11)3-1-2-6-15/h4-5,7,9,15H,1-3,6H2,(H,14,16)
InChIKeyBJTPHHHQUXBPKI-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.02
Rot. Bonds4

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

5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one (PubChem CID 2771854) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one
PubChem CID2771854
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCO
InChIInChI=1S/C12H14FNO2/c13-8-4-5-11-10(7-8)9(12(16)14-11)3-1-2-6-15/h4-5,7,9,15H,1-3,6H2,(H,14,16)
InChIKeyBJTPHHHQUXBPKI-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde
CID 313655
3-Phenyl-oxindole
CID 317527
6-fluoro-2,3-dihydro-1H-indol-2-one
CID 3731013
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
3,3-diethyl-2,3-dihydro-1H-indol-2-one
CID 15153221
(+/-)-2-(2-Oxoindolin-3-yl)acetamide
CID 60156064
7-Fluoro-2,3-dihydro-1h-indol-2-one
CID 3734371

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one (CID 2771854) is 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CCCCO.
What is the InChIKey of 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one?
The InChIKey is BJTPHHHQUXBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-8-4-5-11-10(7-8)9(12(16)14-11)3-1-2-6-15/h4-5,7,9,15H,1-3,6H2,(H,14,16).
What are the key properties of 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one?
5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2771854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).