3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride

C4H6ClF3O3S — CID 105484134

IUPAC3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O3S/c1-11-3(4(6,7)8)2-12(5,9)10/h3H,2H2,1H3
InChIKeyFQUBNPVXHQDIDW-UHFFFAOYSA-N
MW226.60 g/mol
LogP1.13
Rot. Bonds3

About 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride

3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride (PubChem CID 105484134) has the molecular formula C4H6ClF3O3S and a molecular weight of 226.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
PubChem CID105484134
Molecular FormulaC4H6ClF3O3S
Molecular Weight226.60 g/mol
Exact Mass225.97
IUPAC Name3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O3S/c1-11-3(4(6,7)8)2-12(5,9)10/h3H,2H2,1H3
InChIKeyFQUBNPVXHQDIDW-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.60
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride (CID 105484134) is 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride is COC(CS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride?
The InChIKey is FQUBNPVXHQDIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O3S/c1-11-3(4(6,7)8)2-12(5,9)10/h3H,2H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride?
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride has a molecular weight of 226.60 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride is sourced from PubChem (CID 105484134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).