4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione

C13H11F2NO3 — CID 55090457

IUPAC4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCO2)c2cc(F)cc(F)c21
InChIInChI=1S/C13H11F2NO3/c14-7-4-9(15)11-10(5-7)16(13(18)12(11)17)6-8-2-1-3-19-8/h4-5,8H,1-3,6H2
InChIKeyZXCKKDQURJMBLU-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.67
Rot. Bonds2

About 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione

4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione (PubChem CID 55090457) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
PubChem CID55090457
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCO2)c2cc(F)cc(F)c21
InChIInChI=1S/C13H11F2NO3/c14-7-4-9(15)11-10(5-7)16(13(18)12(11)17)6-8-2-1-3-19-8/h4-5,8H,1-3,6H2
InChIKeyZXCKKDQURJMBLU-UHFFFAOYSA-N
XLogP1.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.67
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

4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
CID 40961478
4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 42484794
5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
CID 79336364
1-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 45214087
4,5,6-trifluoro-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-1-carbonitrile
CID 110448780
1-(3,5-difluorophenyl)sulfonyl-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 47034057
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
(3aS,6aR)-2-benzyl-5-[[(2R)-oxolan-2-yl]methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 126422720

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione (CID 55090457) is 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CCCO2)c2cc(F)cc(F)c21.
What is the InChIKey of 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione?
The InChIKey is ZXCKKDQURJMBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c14-7-4-9(15)11-10(5-7)16(13(18)12(11)17)6-8-2-1-3-19-8/h4-5,8H,1-3,6H2.
What are the key properties of 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione?
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione has a molecular weight of 267.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 55090457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).