5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride

C10H12ClFO3S — CID 84711706

IUPAC5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)(C)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-10(2,12)7-4-5-8(15-3)9(6-7)16(11,13)14/h4-6H,1-3H3
InChIKeyOMFFDIYABZYGJO-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.83
Rot. Bonds3

About 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride

5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride (PubChem CID 84711706) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
PubChem CID84711706
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)(C)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-10(2,12)7-4-5-8(15-3)9(6-7)16(11,13)14/h4-6H,1-3H3
InChIKeyOMFFDIYABZYGJO-UHFFFAOYSA-N
XLogP2.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride (CID 84711706) is 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride is COc1ccc(C(C)(C)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is OMFFDIYABZYGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-10(2,12)7-4-5-8(15-3)9(6-7)16(11,13)14/h4-6H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride?
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84711706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).