2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride

C5H11FO4S — CID 22420415

IUPAC2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride
SMILESCC(CO)OCCS(=O)(=O)F
InChIInChI=1S/C5H11FO4S/c1-5(4-7)10-2-3-11(6,8)9/h5,7H,2-4H2,1H3
InChIKeyWJNGHRCASCODNK-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.32
Rot. Bonds5

About 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride

2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride (PubChem CID 22420415) has the molecular formula C5H11FO4S and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride
PubChem CID22420415
Molecular FormulaC5H11FO4S
Molecular Weight186.20 g/mol
Exact Mass186.04
IUPAC Name2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride
SMILESCC(CO)OCCS(=O)(=O)F
InChIInChI=1S/C5H11FO4S/c1-5(4-7)10-2-3-11(6,8)9/h5,7H,2-4H2,1H3
InChIKeyWJNGHRCASCODNK-UHFFFAOYSA-N
XLogP-0.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethoxy)ethane-1-sulfonyl fluoride
CID 11378763
2-Hydroxy-1-(propoxy)propane-3-sulfonic acid
CID 53384318
1-Propanesulfonic acid, 3-butoxy-2-hydroxy-, sodium salt (1:1)
CID 23674486
3-Butoxy-2-hydroxypropane-1-sulfonic acid
CID 100902
1-(2-Ethoxypropoxy)ethanesulfonyl fluoride
CID 88593195
2-(1-Hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride
CID 174468355
2-Hydroxybutyl 2-fluoroethanesulfonate
CID 175415010
rac-(3R,4R)-4-hydroxyoxolane-3-sulfonyl fluoride
CID 165870496
3-(2-Hydroxypropoxy)propane-1-sulfonic acid
CID 12419093
3-(2,3-Dihydroxypropoxy)propane-1-sulfonic acid
CID 17860081
2-Hydroxy-3-methoxypropane-1-sulfonate
CID 18335810
2-Hydroxy-3-methoxypropane-1-sulfonic acid
CID 18335811

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride (CID 22420415) is 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride is CC(CO)OCCS(=O)(=O)F.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride?
The InChIKey is WJNGHRCASCODNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO4S/c1-5(4-7)10-2-3-11(6,8)9/h5,7H,2-4H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride?
2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride has a molecular weight of 186.20 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)ethanesulfonyl fluoride is sourced from PubChem (CID 22420415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).