cyclopropylmethanesulfonyl fluoride

C4H7FO2S — CID 115011326

IUPACcyclopropylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CC1
InChIInChI=1S/C4H7FO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2
InChIKeyBTKSWCSHCKZFKU-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.70
Rot. Bonds2

About cyclopropylmethanesulfonyl fluoride

cyclopropylmethanesulfonyl fluoride (PubChem CID 115011326) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is cyclopropylmethanesulfonyl fluoride.

Molecular Properties

Compound Namecyclopropylmethanesulfonyl fluoride
PubChem CID115011326
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Namecyclopropylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CC1
InChIInChI=1S/C4H7FO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2
InChIKeyBTKSWCSHCKZFKU-UHFFFAOYSA-N
XLogP0.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanesulfonyl fluoride?
The IUPAC name of cyclopropylmethanesulfonyl fluoride (CID 115011326) is cyclopropylmethanesulfonyl fluoride.
What is the SMILES notation for cyclopropylmethanesulfonyl fluoride?
The canonical SMILES for cyclopropylmethanesulfonyl fluoride is O=S(=O)(F)CC1CC1.
What is the InChIKey of cyclopropylmethanesulfonyl fluoride?
The InChIKey is BTKSWCSHCKZFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2.
What are the key properties of cyclopropylmethanesulfonyl fluoride?
cyclopropylmethanesulfonyl fluoride has a molecular weight of 138.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanesulfonyl fluoride is sourced from PubChem (CID 115011326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).