3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride

C10H12ClFO3S — CID 131449573

IUPAC3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride
SMILESCOC(Cc1ccc(F)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-15-10(7-16(11,13)14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyXXLKLAKSJYMHKV-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.95
Rot. Bonds5

About 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride

3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride (PubChem CID 131449573) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride
PubChem CID131449573
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride
SMILESCOC(Cc1ccc(F)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-15-10(7-16(11,13)14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyXXLKLAKSJYMHKV-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride?
The IUPAC name of 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride (CID 131449573) is 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride is COC(Cc1ccc(F)cc1)CS(=O)(=O)Cl.
What is the InChIKey of 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride?
The InChIKey is XXLKLAKSJYMHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-15-10(7-16(11,13)14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride?
3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride is sourced from PubChem (CID 131449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).