2-methoxypropane-1-sulfonyl fluoride

C4H9FO3S — CID 122235976

IUPAC2-methoxypropane-1-sulfonyl fluoride
SMILESCOC(C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3
InChIKeyREFNSYLDAYDSLE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds3

About 2-methoxypropane-1-sulfonyl fluoride

2-methoxypropane-1-sulfonyl fluoride (PubChem CID 122235976) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methoxypropane-1-sulfonyl fluoride
PubChem CID122235976
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name2-methoxypropane-1-sulfonyl fluoride
SMILESCOC(C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3
InChIKeyREFNSYLDAYDSLE-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxyethane-1-sulfonyl fluoride
CID 18951512
Ethanesulfonic acid, isopropyl ester
CID 134677
2-(Propan-2-yloxy)ethane-1-sulfonyl chloride
CID 56828872
2-Methoxypropane-1-sulfonyl chloride
CID 71757010
3-(Propan-2-yloxy)propane-1-sulfonyl chloride
CID 64198864
3-Methoxybutane-1-sulfonyl chloride
CID 115650250
Isopropylsulfinic acid, isopropyl ester
CID 6420316
Isopropyl 1-propanesulfinate
CID 23271047
1-Propanesulfonic acid, 1-methylethyl ester
CID 150335
1-Butanesulfonic acid, 1-methylethyl ester
CID 150336
1-Ethoxyethanesulfonyl fluoride
CID 18951511
2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropane-1-sulfonyl fluoride?
The IUPAC name of 2-methoxypropane-1-sulfonyl fluoride (CID 122235976) is 2-methoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 2-methoxypropane-1-sulfonyl fluoride is COC(C)CS(=O)(=O)F.
What is the InChIKey of 2-methoxypropane-1-sulfonyl fluoride?
The InChIKey is REFNSYLDAYDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3.
What are the key properties of 2-methoxypropane-1-sulfonyl fluoride?
2-methoxypropane-1-sulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 122235976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).