1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride

C11H11FO3S — CID 165460961

IUPAC1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride
SMILESCC1(C)CC(=O)c2cc(S(=O)(=O)F)ccc21
InChIInChI=1S/C11H11FO3S/c1-11(2)6-10(13)8-5-7(16(12,14)15)3-4-9(8)11/h3-5H,6H2,1-2H3
InChIKeyALXMXASEAGBFQR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.21
Rot. Bonds1

About 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride

1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride (PubChem CID 165460961) has the molecular formula C11H11FO3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride.

Molecular Properties

Compound Name1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride
PubChem CID165460961
Molecular FormulaC11H11FO3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride
SMILESCC1(C)CC(=O)c2cc(S(=O)(=O)F)ccc21
InChIInChI=1S/C11H11FO3S/c1-11(2)6-10(13)8-5-7(16(12,14)15)3-4-9(8)11/h3-5H,6H2,1-2H3
InChIKeyALXMXASEAGBFQR-UHFFFAOYSA-N
XLogP2.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride?
The IUPAC name of 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride (CID 165460961) is 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride.
What is the SMILES notation for 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride?
The canonical SMILES for 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride is CC1(C)CC(=O)c2cc(S(=O)(=O)F)ccc21.
What is the InChIKey of 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride?
The InChIKey is ALXMXASEAGBFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3S/c1-11(2)6-10(13)8-5-7(16(12,14)15)3-4-9(8)11/h3-5H,6H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride?
1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride has a molecular weight of 242.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride is sourced from PubChem (CID 165460961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).