3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane

C12H15FO3S — CID 134921093

IUPAC3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane
SMILESO=S(=O)(c1ccccc1)C(F)CC1CCOC1
InChIInChI=1S/C12H15FO3S/c13-12(8-10-6-7-16-9-10)17(14,15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyATWBLQAIORLPMT-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane

3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane (PubChem CID 134921093) has the molecular formula C12H15FO3S and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane
PubChem CID134921093
Molecular FormulaC12H15FO3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane
SMILESO=S(=O)(c1ccccc1)C(F)CC1CCOC1
InChIInChI=1S/C12H15FO3S/c13-12(8-10-6-7-16-9-10)17(14,15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyATWBLQAIORLPMT-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxyethylsulfonylbenzene
CID 44377531
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
3-[2-(Benzenesulfonyl)-2,2-difluoroethyl]-4-(iodomethyl)oxolane
CID 135062272
3-(2,2-Difluoro-2-(phenylsulfonyl)ethyl)-4-methyltetrahydrofuran
CID 163297774
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
2-(Benzenesulfonyl)oxane
CID 3707989
Furan, tetrahydro-2-(phenylsulfonyl)-
CID 10998330
Phenylsulfinyltetrahydrofuran
CID 129814958
2-[3-(Benzenesulfonyl)-1,1,1-trifluoropropan-2-yl]-2-methyloxirane
CID 14772859
5-[(4-Fluorophenyl)sulfonylmethyl]oxolane-3-thiol
CID 18923969
4-Bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 18924031
2-(4-Fluorophenyl)sulfonyl-2-methyloxolane-3-thiol
CID 22070974

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane?
The IUPAC name of 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane (CID 134921093) is 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane.
What is the SMILES notation for 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane?
The canonical SMILES for 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane is O=S(=O)(c1ccccc1)C(F)CC1CCOC1.
What is the InChIKey of 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane?
The InChIKey is ATWBLQAIORLPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3S/c13-12(8-10-6-7-16-9-10)17(14,15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2.
What are the key properties of 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane?
3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane has a molecular weight of 258.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)-2-fluoroethyl]oxolane is sourced from PubChem (CID 134921093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).