(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane

C8H15F3O2S — CID 130294591

IUPAC(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
SMILESCC[C@@H](C)CS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O2S/c1-3-7(2)6-14(12,13)5-4-8(9,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXAQWYCMSGQKJRI-SSDOTTSWSA-N
MW232.27 g/mol
LogP2.40
Rot. Bonds5

About (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane

(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane (PubChem CID 130294591) has the molecular formula C8H15F3O2S and a molecular weight of 232.27 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
PubChem CID130294591
Molecular FormulaC8H15F3O2S
Molecular Weight232.27 g/mol
Exact Mass232.07
IUPAC Name(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
SMILESCC[C@@H](C)CS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O2S/c1-3-7(2)6-14(12,13)5-4-8(9,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXAQWYCMSGQKJRI-SSDOTTSWSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane?
The IUPAC name of (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane (CID 130294591) is (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane.
What is the SMILES notation for (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane?
The canonical SMILES for (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane is CC[C@@H](C)CS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane?
The InChIKey is XAQWYCMSGQKJRI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3O2S/c1-3-7(2)6-14(12,13)5-4-8(9,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane?
(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane has a molecular weight of 232.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane is sourced from PubChem (CID 130294591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).