2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide

C8H14F2O4S2 — CID 175151534

IUPAC2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)C1.O=S1(=O)CCCC1F
InChIInChI=1S/2C4H7FO2S/c5-4-1-2-8(6,7)3-4;5-4-2-1-3-8(4,6)7/h2*4H,1-3H2
InChIKeyCXUCMIATUNVTRW-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.63
Rot. Bonds

About 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide

2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide (PubChem CID 175151534) has the molecular formula C8H14F2O4S2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide
PubChem CID175151534
Molecular FormulaC8H14F2O4S2
Molecular Weight276.33 g/mol
Exact Mass276.03
IUPAC Name2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)C1.O=S1(=O)CCCC1F
InChIInChI=1S/2C4H7FO2S/c5-4-1-2-8(6,7)3-4;5-4-2-1-3-8(4,6)7/h2*4H,1-3H2
InChIKeyCXUCMIATUNVTRW-UHFFFAOYSA-N
XLogP0.63
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide
CID 91525316
(3S)-1,1-dioxothiolan-3-ol
CID 98144245
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
6-fluorooxathiepane 2,2-dioxide
CID 89251329
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043

Frequently Asked Questions

What is the IUPAC name of 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide?
The IUPAC name of 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide (CID 175151534) is 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide.
What is the SMILES notation for 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide?
The canonical SMILES for 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide is O=S1(=O)CCC(F)C1.O=S1(=O)CCCC1F.
What is the InChIKey of 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide?
The InChIKey is CXUCMIATUNVTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7FO2S/c5-4-1-2-8(6,7)3-4;5-4-2-1-3-8(4,6)7/h2*4H,1-3H2.
What are the key properties of 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide?
2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide has a molecular weight of 276.33 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide is sourced from PubChem (CID 175151534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).