8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C7H11F2NO2S — CID 71306117

IUPAC8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CNC2
InChIInChI=1S/C7H11F2NO2S/c8-6(9)5-1-2-13(11,12)7(5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyBRMWVWCPHXSJIM-UHFFFAOYSA-N
MW211.23 g/mol
LogP0.03
Rot. Bonds1

About 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 71306117) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID71306117
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC Name8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CNC2
InChIInChI=1S/C7H11F2NO2S/c8-6(9)5-1-2-13(11,12)7(5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyBRMWVWCPHXSJIM-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306167
8-(Difluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306206
[1,1-Dioxo-4-(2,2,2-trifluoroethyl)thiolan-3-yl]methanamine
CID 84794192
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463173
2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine
CID 105466699
3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine
CID 105484623
3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 105484629
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 113544156
2-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899353
[4-(2,2-Difluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115028280
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2-difluoroethanamine
CID 115407013

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 71306117) is 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is O=S1(=O)CCC(C(F)F)C12CNC2.
What is the InChIKey of 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is BRMWVWCPHXSJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-6(9)5-1-2-13(11,12)7(5)3-10-4-7/h5-6,10H,1-4H2.
What are the key properties of 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 211.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 71306117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).