2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol

C10H11BrF2O3S — CID 105425116

IUPAC2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)(F)CO)cc1Br
InChIInChI=1S/C10H11BrF2O3S/c1-2-17(15,16)9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3
InChIKeyBWVGSRGNWSYSCP-UHFFFAOYSA-N
MW329.16 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol

2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol (PubChem CID 105425116) has the molecular formula C10H11BrF2O3S and a molecular weight of 329.16 g/mol. Its IUPAC name is 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
PubChem CID105425116
Molecular FormulaC10H11BrF2O3S
Molecular Weight329.16 g/mol
Exact Mass327.96
IUPAC Name2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)(F)CO)cc1Br
InChIInChI=1S/C10H11BrF2O3S/c1-2-17(15,16)9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3
InChIKeyBWVGSRGNWSYSCP-UHFFFAOYSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425107
2-(3-bromo-4-ethylsulfonylphenyl)acetic acid
CID 105424912
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
CID 105425063
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
CID 105425792
2,4-dibromo-1-propylsulfonylbenzene
CID 123878797
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923
2-bromo-1-(4-chlorobutan-2-ylsulfonyl)-4-(trifluoromethyl)benzene
CID 113325995
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol (CID 105425116) is 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol is CCS(=O)(=O)c1ccc(C(F)(F)CO)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol?
The InChIKey is BWVGSRGNWSYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O3S/c1-2-17(15,16)9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3.
What are the key properties of 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol?
2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol has a molecular weight of 329.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 105425116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).