(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride

C8H13FO4S — CID 165489854

IUPAC(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C2CCC2)OCCO1
InChIInChI=1S/C8H13FO4S/c9-14(10,11)6-8(7-2-1-3-7)12-4-5-13-8/h7H,1-6H2
InChIKeyHVBVUQYHGTXCEW-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.83
Rot. Bonds3

About (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride

(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride (PubChem CID 165489854) has the molecular formula C8H13FO4S and a molecular weight of 224.25 g/mol. Its IUPAC name is (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride
PubChem CID165489854
Molecular FormulaC8H13FO4S
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C2CCC2)OCCO1
InChIInChI=1S/C8H13FO4S/c9-14(10,11)6-8(7-2-1-3-7)12-4-5-13-8/h7H,1-6H2
InChIKeyHVBVUQYHGTXCEW-UHFFFAOYSA-N
XLogP0.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride?
The IUPAC name of (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride (CID 165489854) is (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride.
What is the SMILES notation for (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride?
The canonical SMILES for (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride is O=S(=O)(F)CC1(C2CCC2)OCCO1.
What is the InChIKey of (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride?
The InChIKey is HVBVUQYHGTXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4S/c9-14(10,11)6-8(7-2-1-3-7)12-4-5-13-8/h7H,1-6H2.
What are the key properties of (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride?
(2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride has a molecular weight of 224.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-1,3-dioxolan-2-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165489854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).