4-propan-2-yloxolane-3-sulfonyl fluoride

C7H13FO3S — CID 165485961

IUPAC4-propan-2-yloxolane-3-sulfonyl fluoride
SMILESCC(C)C1COCC1S(=O)(=O)F
InChIInChI=1S/C7H13FO3S/c1-5(2)6-3-11-4-7(6)12(8,9)10/h5-7H,3-4H2,1-2H3
InChIKeyPPUMZDNXKRYRGU-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.96
Rot. Bonds2

About 4-propan-2-yloxolane-3-sulfonyl fluoride

4-propan-2-yloxolane-3-sulfonyl fluoride (PubChem CID 165485961) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-propan-2-yloxolane-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-propan-2-yloxolane-3-sulfonyl fluoride
PubChem CID165485961
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name4-propan-2-yloxolane-3-sulfonyl fluoride
SMILESCC(C)C1COCC1S(=O)(=O)F
InChIInChI=1S/C7H13FO3S/c1-5(2)6-3-11-4-7(6)12(8,9)10/h5-7H,3-4H2,1-2H3
InChIKeyPPUMZDNXKRYRGU-UHFFFAOYSA-N
XLogP0.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furanmethanesulfonyl fluoride, tetrahydro-
CID 50989451
[(3R)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124118
[(3S)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124119
2-(Oxan-4-yl)propane-1-sulfonyl fluoride
CID 115026936
2-Fluoro-2-(oxolan-3-yl)ethane-1-sulfonyl chloride
CID 126849343
(3S,4S)-4-methyloxolane-3-sulfonyl fluoride
CID 130820464
4-Methyloxolane-3-sulfonyl fluoride
CID 130880339
3-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165459360
3-Methyloxane-4-sulfonyl fluoride
CID 165460984
1-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165502126
4-(2-Methylpropyl)oxolane-3-sulfonyl fluoride
CID 165505827
1-(Oxolan-3-yl)propane-2-sulfonyl fluoride
CID 165520751

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxolane-3-sulfonyl fluoride?
The IUPAC name of 4-propan-2-yloxolane-3-sulfonyl fluoride (CID 165485961) is 4-propan-2-yloxolane-3-sulfonyl fluoride.
What is the SMILES notation for 4-propan-2-yloxolane-3-sulfonyl fluoride?
The canonical SMILES for 4-propan-2-yloxolane-3-sulfonyl fluoride is CC(C)C1COCC1S(=O)(=O)F.
What is the InChIKey of 4-propan-2-yloxolane-3-sulfonyl fluoride?
The InChIKey is PPUMZDNXKRYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-5(2)6-3-11-4-7(6)12(8,9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yloxolane-3-sulfonyl fluoride?
4-propan-2-yloxolane-3-sulfonyl fluoride has a molecular weight of 196.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxolane-3-sulfonyl fluoride is sourced from PubChem (CID 165485961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).