3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride

C7H14F2O3S2 — CID 22094731

IUPAC3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride
SMILESCCC(CCS(=O)F)CCS(=O)(=O)F
InChIInChI=1S/C7H14F2O3S2/c1-2-7(3-5-13(8)10)4-6-14(9,11)12/h7H,2-6H2,1H3
InChIKeyLOLGPSIQPWXSPP-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.73
Rot. Bonds7

About 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride

3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride (PubChem CID 22094731) has the molecular formula C7H14F2O3S2 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride
PubChem CID22094731
Molecular FormulaC7H14F2O3S2
Molecular Weight248.32 g/mol
Exact Mass248.04
IUPAC Name3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride
SMILESCCC(CCS(=O)F)CCS(=O)(=O)F
InChIInChI=1S/C7H14F2O3S2/c1-2-7(3-5-13(8)10)4-6-14(9,11)12/h7H,2-6H2,1H3
InChIKeyLOLGPSIQPWXSPP-UHFFFAOYSA-N
XLogP1.73
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride?
The IUPAC name of 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride (CID 22094731) is 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride is CCC(CCS(=O)F)CCS(=O)(=O)F.
What is the InChIKey of 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride?
The InChIKey is LOLGPSIQPWXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O3S2/c1-2-7(3-5-13(8)10)4-6-14(9,11)12/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride?
3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride has a molecular weight of 248.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluorosulfinylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 22094731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).