4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione

C14H13ClFNO3 — CID 61357910

IUPAC4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCCO2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C14H13ClFNO3/c15-9-4-5-10(16)12-11(9)13(18)14(19)17(12)7-8-3-1-2-6-20-8/h4-5,8H,1-3,6-7H2
InChIKeyLODZSJROYHBDTO-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione

4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione (PubChem CID 61357910) has the molecular formula C14H13ClFNO3 and a molecular weight of 297.71 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
PubChem CID61357910
Molecular FormulaC14H13ClFNO3
Molecular Weight297.71 g/mol
Exact Mass297.06
IUPAC Name4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCCO2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C14H13ClFNO3/c15-9-4-5-10(16)12-11(9)13(18)14(19)17(12)7-8-3-1-2-6-20-8/h4-5,8H,1-3,6-7H2
InChIKeyLODZSJROYHBDTO-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione (CID 61357910) is 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CCCCO2)c2c(F)ccc(Cl)c21.
What is the InChIKey of 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione?
The InChIKey is LODZSJROYHBDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3/c15-9-4-5-10(16)12-11(9)13(18)14(19)17(12)7-8-3-1-2-6-20-8/h4-5,8H,1-3,6-7H2.
What are the key properties of 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione?
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione has a molecular weight of 297.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61357910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).