5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione

C14H13ClFNO3 — CID 79336364

IUPAC5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCC2CCCO2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C14H13ClFNO3/c15-10-6-9-12(7-11(10)16)17(14(19)13(9)18)4-3-8-2-1-5-20-8/h6-8H,1-5H2
InChIKeyNEAXRHQWFMGOHD-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.58
Rot. Bonds3

About 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione

5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione (PubChem CID 79336364) has the molecular formula C14H13ClFNO3 and a molecular weight of 297.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
PubChem CID79336364
Molecular FormulaC14H13ClFNO3
Molecular Weight297.71 g/mol
Exact Mass297.06
IUPAC Name5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCC2CCCO2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C14H13ClFNO3/c15-10-6-9-12(7-11(10)16)17(14(19)13(9)18)4-3-8-2-1-5-20-8/h6-8H,1-5H2
InChIKeyNEAXRHQWFMGOHD-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-(3,3-dimethylbutyl)-6-fluoroindole-2,3-dione
CID 79336562
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
CID 99827046
1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
CID 65162625
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
CID 55090457
1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one
CID 116619003
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
2-[(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 79348912
1-[(4-bromothiophen-2-yl)methyl]-5-chloro-6-fluoroindole-2,3-dione
CID 79336223
1-(3-bromo-2-hydroxypropyl)-5-chloro-6-fluoroindole-2,3-dione
CID 112560383
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 79336013
5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 79336284

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione (CID 79336364) is 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione is O=C1C(=O)N(CCC2CCCO2)c2cc(F)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione?
The InChIKey is NEAXRHQWFMGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3/c15-10-6-9-12(7-11(10)16)17(14(19)13(9)18)4-3-8-2-1-5-20-8/h6-8H,1-5H2.
What are the key properties of 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione has a molecular weight of 297.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 79336364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).