2-methyl-1-(trifluoromethylsulfonyl)pentane

C7H13F3O2S — CID 57231089

IUPAC2-methyl-1-(trifluoromethylsulfonyl)pentane
SMILESCCCC(C)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3O2S/c1-3-4-6(2)5-13(11,12)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyUNCWLEAQEKUQAU-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-1-(trifluoromethylsulfonyl)pentane

2-methyl-1-(trifluoromethylsulfonyl)pentane (PubChem CID 57231089) has the molecular formula C7H13F3O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-methyl-1-(trifluoromethylsulfonyl)pentane.

Molecular Properties

Compound Name2-methyl-1-(trifluoromethylsulfonyl)pentane
PubChem CID57231089
Molecular FormulaC7H13F3O2S
Molecular Weight218.24 g/mol
Exact Mass218.06
IUPAC Name2-methyl-1-(trifluoromethylsulfonyl)pentane
SMILESCCCC(C)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3O2S/c1-3-4-6(2)5-13(11,12)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyUNCWLEAQEKUQAU-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(trifluoromethylsulfonyl)pentane?
The IUPAC name of 2-methyl-1-(trifluoromethylsulfonyl)pentane (CID 57231089) is 2-methyl-1-(trifluoromethylsulfonyl)pentane.
What is the SMILES notation for 2-methyl-1-(trifluoromethylsulfonyl)pentane?
The canonical SMILES for 2-methyl-1-(trifluoromethylsulfonyl)pentane is CCCC(C)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-(trifluoromethylsulfonyl)pentane?
The InChIKey is UNCWLEAQEKUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2S/c1-3-4-6(2)5-13(11,12)7(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(trifluoromethylsulfonyl)pentane?
2-methyl-1-(trifluoromethylsulfonyl)pentane has a molecular weight of 218.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(trifluoromethylsulfonyl)pentane is sourced from PubChem (CID 57231089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).