1-fluorocyclopropane-1-sulfonyl chloride

C3H4ClFO2S — CID 84764047

IUPAC1-fluorocyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)CC1
InChIInChI=1S/C3H4ClFO2S/c4-8(6,7)3(5)1-2-3/h1-2H2
InChIKeyXQXGCCNQRSFJJD-UHFFFAOYSA-N
MW158.58 g/mol
LogP1.01
Rot. Bonds1

About 1-fluorocyclopropane-1-sulfonyl chloride

1-fluorocyclopropane-1-sulfonyl chloride (PubChem CID 84764047) has the molecular formula C3H4ClFO2S and a molecular weight of 158.58 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-fluorocyclopropane-1-sulfonyl chloride
PubChem CID84764047
Molecular FormulaC3H4ClFO2S
Molecular Weight158.58 g/mol
Exact Mass157.96
IUPAC Name1-fluorocyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)CC1
InChIInChI=1S/C3H4ClFO2S/c4-8(6,7)3(5)1-2-3/h1-2H2
InChIKeyXQXGCCNQRSFJJD-UHFFFAOYSA-N
XLogP1.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-fluorocyclopropane-1-sulfonyl chloride (CID 84764047) is 1-fluorocyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-fluorocyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-fluorocyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-sulfonyl chloride?
The InChIKey is XQXGCCNQRSFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClFO2S/c4-8(6,7)3(5)1-2-3/h1-2H2.
What are the key properties of 1-fluorocyclopropane-1-sulfonyl chloride?
1-fluorocyclopropane-1-sulfonyl chloride has a molecular weight of 158.58 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 84764047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).