6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

C10H17FO2S — CID 162475455

IUPAC6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)(C)C1(F)CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C10H17FO2S/c1-8(2,3)10(11)4-9(5-10)6-14(12,13)7-9/h4-7H2,1-3H3
InChIKeyXABWEOGFFREEPN-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.95
Rot. Bonds

About 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (PubChem CID 162475455) has the molecular formula C10H17FO2S and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
PubChem CID162475455
Molecular FormulaC10H17FO2S
Molecular Weight220.31 g/mol
Exact Mass220.09
IUPAC Name6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)(C)C1(F)CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C10H17FO2S/c1-8(2,3)10(11)4-9(5-10)6-14(12,13)7-9/h4-7H2,1-3H3
InChIKeyXABWEOGFFREEPN-UHFFFAOYSA-N
XLogP1.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (CID 162475455) is 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is CC(C)(C)C1(F)CC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is XABWEOGFFREEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2S/c1-8(2,3)10(11)4-9(5-10)6-14(12,13)7-9/h4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 220.31 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 162475455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).