3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride

C6H8ClF3O3S — CID 146049928

IUPAC3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESCOC1(C(F)(F)F)CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClF3O3S/c1-13-5(6(8,9)10)2-4(3-5)14(7,11)12/h4H,2-3H2,1H3
InChIKeyDVGVXVZBNIMMGF-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.66
Rot. Bonds2

About 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride

3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride (PubChem CID 146049928) has the molecular formula C6H8ClF3O3S and a molecular weight of 252.64 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
PubChem CID146049928
Molecular FormulaC6H8ClF3O3S
Molecular Weight252.64 g/mol
Exact Mass251.98
IUPAC Name3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESCOC1(C(F)(F)F)CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClF3O3S/c1-13-5(6(8,9)10)2-4(3-5)14(7,11)12/h4H,2-3H2,1H3
InChIKeyDVGVXVZBNIMMGF-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride (CID 146049928) is 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride is COC1(C(F)(F)F)CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The InChIKey is DVGVXVZBNIMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O3S/c1-13-5(6(8,9)10)2-4(3-5)14(7,11)12/h4H,2-3H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride has a molecular weight of 252.64 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 146049928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).