2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol

C10H12BrFO3S — CID 105425107

IUPAC2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)CO)cc1Br
InChIInChI=1S/C10H12BrFO3S/c1-2-16(14,15)10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3
InChIKeyDXENPEUIRIZMAO-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol

2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol (PubChem CID 105425107) has the molecular formula C10H12BrFO3S and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
PubChem CID105425107
Molecular FormulaC10H12BrFO3S
Molecular Weight311.17 g/mol
Exact Mass309.97
IUPAC Name2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)CO)cc1Br
InChIInChI=1S/C10H12BrFO3S/c1-2-16(14,15)10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3
InChIKeyDXENPEUIRIZMAO-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
CID 105425116
2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine
CID 105424737
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
2-(3-bromo-4-ethylsulfonylphenyl)acetic acid
CID 105424912
2,4-dibromo-1-propylsulfonylbenzene
CID 123878797
2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
3-amino-3-(4-bromophenyl)-2-ethylsulfonylpropan-1-ol
CID 102551068
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
2-(3-bromo-5-methylphenyl)-2-fluoroethanol
CID 178200098
ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
CID 163257767

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol (CID 105425107) is 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol is CCS(=O)(=O)c1ccc(C(F)CO)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol?
The InChIKey is DXENPEUIRIZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3S/c1-2-16(14,15)10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3.
What are the key properties of 2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol?
2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol has a molecular weight of 311.17 g/mol, XLogP of 2.25, 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-fluoroethanol is sourced from PubChem (CID 105425107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).