2-fluoro-1-(2-fluoropropylsulfonyl)propane

C6H12F2O2S — CID 87624365

IUPAC2-fluoro-1-(2-fluoropropylsulfonyl)propane
SMILESCC(F)CS(=O)(=O)CC(C)F
InChIInChI=1S/C6H12F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKeyHYTQKFXFMALRJH-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.12
Rot. Bonds4

About 2-fluoro-1-(2-fluoropropylsulfonyl)propane

2-fluoro-1-(2-fluoropropylsulfonyl)propane (PubChem CID 87624365) has the molecular formula C6H12F2O2S and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoropropylsulfonyl)propane.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoropropylsulfonyl)propane
PubChem CID87624365
Molecular FormulaC6H12F2O2S
Molecular Weight186.22 g/mol
Exact Mass186.05
IUPAC Name2-fluoro-1-(2-fluoropropylsulfonyl)propane
SMILESCC(F)CS(=O)(=O)CC(C)F
InChIInChI=1S/C6H12F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKeyHYTQKFXFMALRJH-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoropropylsulfonyl)propane?
The IUPAC name of 2-fluoro-1-(2-fluoropropylsulfonyl)propane (CID 87624365) is 2-fluoro-1-(2-fluoropropylsulfonyl)propane.
What is the SMILES notation for 2-fluoro-1-(2-fluoropropylsulfonyl)propane?
The canonical SMILES for 2-fluoro-1-(2-fluoropropylsulfonyl)propane is CC(F)CS(=O)(=O)CC(C)F.
What is the InChIKey of 2-fluoro-1-(2-fluoropropylsulfonyl)propane?
The InChIKey is HYTQKFXFMALRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluoropropylsulfonyl)propane?
2-fluoro-1-(2-fluoropropylsulfonyl)propane has a molecular weight of 186.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluoropropylsulfonyl)propane is sourced from PubChem (CID 87624365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).