2-methoxypentane-1-sulfonyl fluoride

C6H13FO3S — CID 164664043

IUPAC2-methoxypentane-1-sulfonyl fluoride
SMILESCCCC(CS(=O)(=O)F)OC
InChIInChI=1S/C6H13FO3S/c1-3-4-6(10-2)5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyXCDJXLJYHLRGKQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds5

About 2-methoxypentane-1-sulfonyl fluoride

2-methoxypentane-1-sulfonyl fluoride (PubChem CID 164664043) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxypentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methoxypentane-1-sulfonyl fluoride
PubChem CID164664043
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-methoxypentane-1-sulfonyl fluoride
SMILESCCCC(CS(=O)(=O)F)OC
InChIInChI=1S/C6H13FO3S/c1-3-4-6(10-2)5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyXCDJXLJYHLRGKQ-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxiran-2-yl)ethane-1-sulfonyl fluoride
CID 24936346
6-Methyloxathiane 2,2-dioxide
CID 345589
2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418
3-Methoxypropane-1-sulfonyl fluoride
CID 46899852
4-Methoxybutane-1-sulfonyl fluoride
CID 88593451
3-Butoxypropane-1-sulfonyl fluoride
CID 88594421
1-(1-Iodopropan-2-yloxy)butane-1-sulfonyl fluoride
CID 166564308
4-Propyloxathietane 2,2-dioxide
CID 85823240
2-Hydroxypentane-1-sulfonyl fluoride
CID 115013719
2-Methoxypropane-1-sulfonyl fluoride
CID 122235976
1-Methoxypropane-2-sulfonyl fluoride
CID 122236075
Oxolan-2-ylmethanesulfonyl fluoride
CID 122236584

Frequently Asked Questions

What is the IUPAC name of 2-methoxypentane-1-sulfonyl fluoride?
The IUPAC name of 2-methoxypentane-1-sulfonyl fluoride (CID 164664043) is 2-methoxypentane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methoxypentane-1-sulfonyl fluoride?
The canonical SMILES for 2-methoxypentane-1-sulfonyl fluoride is CCCC(CS(=O)(=O)F)OC.
What is the InChIKey of 2-methoxypentane-1-sulfonyl fluoride?
The InChIKey is XCDJXLJYHLRGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-3-4-6(10-2)5-11(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-methoxypentane-1-sulfonyl fluoride?
2-methoxypentane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypentane-1-sulfonyl fluoride is sourced from PubChem (CID 164664043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).