2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane

C11H13FO4S — CID 14593286

IUPAC2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccccc1)C(F)CC1OCCO1
InChIInChI=1S/C11H13FO4S/c12-10(8-11-15-6-7-16-11)17(13,14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyIARRDJTUTHKUCK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.52
Rot. Bonds4

About 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane

2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane (PubChem CID 14593286) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
PubChem CID14593286
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Name2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccccc1)C(F)CC1OCCO1
InChIInChI=1S/C11H13FO4S/c12-10(8-11-15-6-7-16-11)17(13,14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyIARRDJTUTHKUCK-UHFFFAOYSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
2-(benzenesulfonyl)-5-(oxiran-2-yl)pentanenitrile
CID 10445565
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
CID 14982487
[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
CID 170783673
2,2-bis(benzenesulfonyl)ethylcyclooctane
CID 132937122
(NE)-N-[(2S)-3-(1,3-dioxolan-2-yl)-2-phenylpropylidene]hydroxylamine
CID 177384870
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
benzenesulfonyl(phenyl)methanol
CID 174895803
[(2R)-oxiran-2-yl]methyl benzenesulfonate
CID 14419639
2-(benzenesulfonyl)-4-hydroxybutanoic acid
CID 135331065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane (CID 14593286) is 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane is O=S(=O)(c1ccccc1)C(F)CC1OCCO1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane?
The InChIKey is IARRDJTUTHKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4S/c12-10(8-11-15-6-7-16-11)17(13,14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane?
2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane has a molecular weight of 260.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane is sourced from PubChem (CID 14593286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).