1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane

C10H20F2O2S — CID 87623637

IUPAC1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane
SMILESCCC(C)(CF)S(=O)(=O)C(C)(CC)CF
InChIInChI=1S/C10H20F2O2S/c1-5-9(3,7-11)15(13,14)10(4,6-2)8-12/h5-8H2,1-4H3
InChIKeySPUZPNRESADOMK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.68
Rot. Bonds6

About 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane

1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane (PubChem CID 87623637) has the molecular formula C10H20F2O2S and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane.

Molecular Properties

Compound Name1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane
PubChem CID87623637
Molecular FormulaC10H20F2O2S
Molecular Weight242.33 g/mol
Exact Mass242.12
IUPAC Name1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane
SMILESCCC(C)(CF)S(=O)(=O)C(C)(CC)CF
InChIInChI=1S/C10H20F2O2S/c1-5-9(3,7-11)15(13,14)10(4,6-2)8-12/h5-8H2,1-4H3
InChIKeySPUZPNRESADOMK-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane?
The IUPAC name of 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane (CID 87623637) is 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane.
What is the SMILES notation for 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane?
The canonical SMILES for 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane is CCC(C)(CF)S(=O)(=O)C(C)(CC)CF.
What is the InChIKey of 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane?
The InChIKey is SPUZPNRESADOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O2S/c1-5-9(3,7-11)15(13,14)10(4,6-2)8-12/h5-8H2,1-4H3.
What are the key properties of 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane?
1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane has a molecular weight of 242.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane is sourced from PubChem (CID 87623637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).