4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione

C15H15ClFNO3 — CID 116522252

IUPAC4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
SMILESCC1(C)CCC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)O1
InChIInChI=1S/C15H15ClFNO3/c1-15(2)6-5-8(21-15)7-18-12-10(17)4-3-9(16)11(12)13(19)14(18)20/h3-4,8H,5-7H2,1-2H3
InChIKeyMKDRVHXHCVHXDX-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione

4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione (PubChem CID 116522252) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
PubChem CID116522252
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
SMILESCC1(C)CCC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)O1
InChIInChI=1S/C15H15ClFNO3/c1-15(2)6-5-8(21-15)7-18-12-10(17)4-3-9(16)11(12)13(19)14(18)20/h3-4,8H,5-7H2,1-2H3
InChIKeyMKDRVHXHCVHXDX-UHFFFAOYSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.97
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-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione?
The IUPAC name of 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione (CID 116522252) is 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione is CC1(C)CCC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)O1.
What is the InChIKey of 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione?
The InChIKey is MKDRVHXHCVHXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-15(2)6-5-8(21-15)7-18-12-10(17)4-3-9(16)11(12)13(19)14(18)20/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione?
4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione has a molecular weight of 311.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione is sourced from PubChem (CID 116522252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).