3-fluoro-1-(3-fluorobutylsulfonyl)butane

C8H16F2O2S — CID 87772878

IUPAC3-fluoro-1-(3-fluorobutylsulfonyl)butane
SMILESCC(F)CCS(=O)(=O)CCC(C)F
InChIInChI=1S/C8H16F2O2S/c1-7(9)3-5-13(11,12)6-4-8(2)10/h7-8H,3-6H2,1-2H3
InChIKeyCRMRVQWBTUUCLS-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.90
Rot. Bonds6

About 3-fluoro-1-(3-fluorobutylsulfonyl)butane

3-fluoro-1-(3-fluorobutylsulfonyl)butane (PubChem CID 87772878) has the molecular formula C8H16F2O2S and a molecular weight of 214.28 g/mol. Its IUPAC name is 3-fluoro-1-(3-fluorobutylsulfonyl)butane.

Molecular Properties

Compound Name3-fluoro-1-(3-fluorobutylsulfonyl)butane
PubChem CID87772878
Molecular FormulaC8H16F2O2S
Molecular Weight214.28 g/mol
Exact Mass214.08
IUPAC Name3-fluoro-1-(3-fluorobutylsulfonyl)butane
SMILESCC(F)CCS(=O)(=O)CCC(C)F
InChIInChI=1S/C8H16F2O2S/c1-7(9)3-5-13(11,12)6-4-8(2)10/h7-8H,3-6H2,1-2H3
InChIKeyCRMRVQWBTUUCLS-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 3-fluoro-1-(3-fluorobutylsulfonyl)butane?
The IUPAC name of 3-fluoro-1-(3-fluorobutylsulfonyl)butane (CID 87772878) is 3-fluoro-1-(3-fluorobutylsulfonyl)butane.
What is the SMILES notation for 3-fluoro-1-(3-fluorobutylsulfonyl)butane?
The canonical SMILES for 3-fluoro-1-(3-fluorobutylsulfonyl)butane is CC(F)CCS(=O)(=O)CCC(C)F.
What is the InChIKey of 3-fluoro-1-(3-fluorobutylsulfonyl)butane?
The InChIKey is CRMRVQWBTUUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2S/c1-7(9)3-5-13(11,12)6-4-8(2)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-fluorobutylsulfonyl)butane?
3-fluoro-1-(3-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 3-fluoro-1-(3-fluorobutylsulfonyl)butane is sourced from PubChem (CID 87772878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).