2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane

C8H17FO2S — CID 161159168

IUPAC2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane
SMILESCC(C)C(C)(F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17FO2S/c1-6(2)8(5,9)12(10,11)7(3)4/h6-7H,1-5H3
InChIKeyCEMHTGSCAIPNHU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane

2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane (PubChem CID 161159168) has the molecular formula C8H17FO2S and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane
PubChem CID161159168
Molecular FormulaC8H17FO2S
Molecular Weight196.29 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane
SMILESCC(C)C(C)(F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17FO2S/c1-6(2)8(5,9)12(10,11)7(3)4/h6-7H,1-5H3
InChIKeyCEMHTGSCAIPNHU-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane?
The IUPAC name of 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane (CID 161159168) is 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane.
What is the SMILES notation for 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane?
The canonical SMILES for 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane is CC(C)C(C)(F)S(=O)(=O)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane?
The InChIKey is CEMHTGSCAIPNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2S/c1-6(2)8(5,9)12(10,11)7(3)4/h6-7H,1-5H3.
What are the key properties of 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane?
2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane has a molecular weight of 196.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-propan-2-ylsulfonylbutane is sourced from PubChem (CID 161159168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).