1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane

C7H15FO2S — CID 130320668

IUPAC1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)C(C)CF
InChIInChI=1S/C7H15FO2S/c1-6(2)5-11(9,10)7(3)4-8/h6-7H,4-5H2,1-3H3
InChIKeyZIAPKOGDYASEHP-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.42
Rot. Bonds4

About 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane

1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane (PubChem CID 130320668) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane
PubChem CID130320668
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)C(C)CF
InChIInChI=1S/C7H15FO2S/c1-6(2)5-11(9,10)7(3)4-8/h6-7H,4-5H2,1-3H3
InChIKeyZIAPKOGDYASEHP-UHFFFAOYSA-N
XLogP1.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane?
The IUPAC name of 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane (CID 130320668) is 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane.
What is the SMILES notation for 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane?
The canonical SMILES for 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane is CC(C)CS(=O)(=O)C(C)CF.
What is the InChIKey of 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane?
The InChIKey is ZIAPKOGDYASEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-6(2)5-11(9,10)7(3)4-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane?
1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane has a molecular weight of 182.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-ylsulfonyl)-2-methylpropane is sourced from PubChem (CID 130320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).