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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Related Compounds

4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 116522252
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
CID 55090457
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
CID 79336364
1-[2-(bromomethyl)butyl]-4-chloro-7-fluoroindole-2,3-dione
CID 64995254
5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
CID 40961478
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61358109
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1283430
methyl 4-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)-2-methylbut-2-enoate
CID 77074373
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496

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).