3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane

C7H12F4OS — CID 166876328

IUPAC3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane
SMILESCCC(C)(F)CCS(=O)C(F)(F)F
InChIInChI=1S/C7H12F4OS/c1-3-6(2,8)4-5-13(12)7(9,10)11/h3-5H2,1-2H3
InChIKeyRFJUSEGYDVWISQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.78
Rot. Bonds4

About 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane

3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane (PubChem CID 166876328) has the molecular formula C7H12F4OS and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane
PubChem CID166876328
Molecular FormulaC7H12F4OS
Molecular Weight220.23 g/mol
Exact Mass220.05
IUPAC Name3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane
SMILESCCC(C)(F)CCS(=O)C(F)(F)F
InChIInChI=1S/C7H12F4OS/c1-3-6(2,8)4-5-13(12)7(9,10)11/h3-5H2,1-2H3
InChIKeyRFJUSEGYDVWISQ-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane?
The IUPAC name of 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane (CID 166876328) is 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane.
What is the SMILES notation for 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane?
The canonical SMILES for 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane is CCC(C)(F)CCS(=O)C(F)(F)F.
What is the InChIKey of 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane?
The InChIKey is RFJUSEGYDVWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4OS/c1-3-6(2,8)4-5-13(12)7(9,10)11/h3-5H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane?
3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane has a molecular weight of 220.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(trifluoromethylsulfinyl)pentane is sourced from PubChem (CID 166876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).