2-fluoro-1-(2-fluorobutylsulfonyl)butane

C8H16F2O2S — CID 87625121

IUPAC2-fluoro-1-(2-fluorobutylsulfonyl)butane
SMILESCCC(F)CS(=O)(=O)CC(F)CC
InChIInChI=1S/C8H16F2O2S/c1-3-7(9)5-13(11,12)6-8(10)4-2/h7-8H,3-6H2,1-2H3
InChIKeyAKTYDPKYOKUXJN-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.90
Rot. Bonds6

About 2-fluoro-1-(2-fluorobutylsulfonyl)butane

2-fluoro-1-(2-fluorobutylsulfonyl)butane (PubChem CID 87625121) has the molecular formula C8H16F2O2S and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluorobutylsulfonyl)butane.

Molecular Properties

Compound Name2-fluoro-1-(2-fluorobutylsulfonyl)butane
PubChem CID87625121
Molecular FormulaC8H16F2O2S
Molecular Weight214.28 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-1-(2-fluorobutylsulfonyl)butane
SMILESCCC(F)CS(=O)(=O)CC(F)CC
InChIInChI=1S/C8H16F2O2S/c1-3-7(9)5-13(11,12)6-8(10)4-2/h7-8H,3-6H2,1-2H3
InChIKeyAKTYDPKYOKUXJN-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.90
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-fluorobutylsulfonyl)butane?
The IUPAC name of 2-fluoro-1-(2-fluorobutylsulfonyl)butane (CID 87625121) is 2-fluoro-1-(2-fluorobutylsulfonyl)butane.
What is the SMILES notation for 2-fluoro-1-(2-fluorobutylsulfonyl)butane?
The canonical SMILES for 2-fluoro-1-(2-fluorobutylsulfonyl)butane is CCC(F)CS(=O)(=O)CC(F)CC.
What is the InChIKey of 2-fluoro-1-(2-fluorobutylsulfonyl)butane?
The InChIKey is AKTYDPKYOKUXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2S/c1-3-7(9)5-13(11,12)6-8(10)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluorobutylsulfonyl)butane?
2-fluoro-1-(2-fluorobutylsulfonyl)butane has a molecular weight of 214.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluorobutylsulfonyl)butane is sourced from PubChem (CID 87625121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).