4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride

C10H20F2O5S2 — CID 175156223

IUPAC4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride
SMILESCC(CCS(=O)(=O)F)COCC(C)CCS(=O)(=O)F
InChIInChI=1S/C10H20F2O5S2/c1-9(3-5-18(11,13)14)7-17-8-10(2)4-6-19(12,15)16/h9-10H,3-8H2,1-2H3
InChIKeyKJGKPWRXYAANLB-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.65
Rot. Bonds10

About 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride

4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride (PubChem CID 175156223) has the molecular formula C10H20F2O5S2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride
PubChem CID175156223
Molecular FormulaC10H20F2O5S2
Molecular Weight322.40 g/mol
Exact Mass322.07
IUPAC Name4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride
SMILESCC(CCS(=O)(=O)F)COCC(C)CCS(=O)(=O)F
InChIInChI=1S/C10H20F2O5S2/c1-9(3-5-18(11,13)14)7-17-8-10(2)4-6-19(12,15)16/h9-10H,3-8H2,1-2H3
InChIKeyKJGKPWRXYAANLB-UHFFFAOYSA-N
XLogP1.65
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride?
The IUPAC name of 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride (CID 175156223) is 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride?
The canonical SMILES for 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride is CC(CCS(=O)(=O)F)COCC(C)CCS(=O)(=O)F.
What is the InChIKey of 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride?
The InChIKey is KJGKPWRXYAANLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O5S2/c1-9(3-5-18(11,13)14)7-17-8-10(2)4-6-19(12,15)16/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride?
4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride has a molecular weight of 322.40 g/mol, XLogP of 1.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorosulfonyl-2-methylbutoxy)-3-methylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 175156223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).