2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane

C10H19F3O2S — CID 59267886

IUPAC2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H19F3O2S/c1-8(2,3)9(4,5)16(14,15)7-6-10(11,12)13/h6-7H2,1-5H3
InChIKeyNEDFIWFMUXDFLI-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.18
Rot. Bonds3

About 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane

2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane (PubChem CID 59267886) has the molecular formula C10H19F3O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane
PubChem CID59267886
Molecular FormulaC10H19F3O2S
Molecular Weight260.32 g/mol
Exact Mass260.11
IUPAC Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H19F3O2S/c1-8(2,3)9(4,5)16(14,15)7-6-10(11,12)13/h6-7H2,1-5H3
InChIKeyNEDFIWFMUXDFLI-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane?
The IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane (CID 59267886) is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane?
The canonical SMILES for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane is CC(C)(C)C(C)(C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane?
The InChIKey is NEDFIWFMUXDFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2S/c1-8(2,3)9(4,5)16(14,15)7-6-10(11,12)13/h6-7H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane?
2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane has a molecular weight of 260.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane is sourced from PubChem (CID 59267886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).