2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol

C12H10F2O4S — CID 14291992

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccco1
InChIInChI=1S/C12H10F2O4S/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8,11,15H
InChIKeyMIKYBRUVZPPZEG-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.38
Rot. Bonds4

About 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol

2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol (PubChem CID 14291992) has the molecular formula C12H10F2O4S and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol
PubChem CID14291992
Molecular FormulaC12H10F2O4S
Molecular Weight288.27 g/mol
Exact Mass288.03
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccco1
InChIInChI=1S/C12H10F2O4S/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8,11,15H
InChIKeyMIKYBRUVZPPZEG-UHFFFAOYSA-N
XLogP2.38
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol (CID 14291992) is 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccco1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol?
The InChIKey is MIKYBRUVZPPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O4S/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8,11,15H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol has a molecular weight of 288.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,2-difluoro-1-(furan-2-yl)ethanol is sourced from PubChem (CID 14291992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).