2-methoxy-3-methylbutane-1-sulfonyl fluoride

C6H13FO3S — CID 165453618

IUPAC2-methoxy-3-methylbutane-1-sulfonyl fluoride
SMILESCOC(CS(=O)(=O)F)C(C)C
InChIInChI=1S/C6H13FO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyZMSFSVWLGONXKY-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.96
Rot. Bonds4

About 2-methoxy-3-methylbutane-1-sulfonyl fluoride

2-methoxy-3-methylbutane-1-sulfonyl fluoride (PubChem CID 165453618) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxy-3-methylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methoxy-3-methylbutane-1-sulfonyl fluoride
PubChem CID165453618
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-methoxy-3-methylbutane-1-sulfonyl fluoride
SMILESCOC(CS(=O)(=O)F)C(C)C
InChIInChI=1S/C6H13FO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyZMSFSVWLGONXKY-UHFFFAOYSA-N
XLogP0.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418
3-Methylbutan-2-yl 2,2,2-trifluoroethanesulfonate
CID 89440088
2-Hydroxy-3-methylbutane-1-sulfonyl fluoride
CID 115013718
2-Methoxypropane-1-sulfonyl fluoride
CID 122235976
3-Methoxy-3-methylbutane-1-sulfonyl fluoride
CID 122236095
(2S)-2-methoxypropane-1-sulfonyl fluoride
CID 124710030
(2R)-2-methoxypropane-1-sulfonyl fluoride
CID 124710031
2-Methoxypentane-1-sulfonyl fluoride
CID 164664043
2-Methoxy-2-methylpropane-1-sulfonyl fluoride
CID 165453143
2-Cyclopropyl-2-ethoxyethane-1-sulfonyl fluoride
CID 165459796
3-Ethoxy-2-methylpropane-1-sulfonyl fluoride
CID 165460509
3-Methoxy-2-methylpropane-1-sulfonyl fluoride
CID 165460562

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylbutane-1-sulfonyl fluoride?
The IUPAC name of 2-methoxy-3-methylbutane-1-sulfonyl fluoride (CID 165453618) is 2-methoxy-3-methylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methoxy-3-methylbutane-1-sulfonyl fluoride?
The canonical SMILES for 2-methoxy-3-methylbutane-1-sulfonyl fluoride is COC(CS(=O)(=O)F)C(C)C.
What is the InChIKey of 2-methoxy-3-methylbutane-1-sulfonyl fluoride?
The InChIKey is ZMSFSVWLGONXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-methoxy-3-methylbutane-1-sulfonyl fluoride?
2-methoxy-3-methylbutane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 165453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).