4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol

C12H17FO3S — CID 79431449

IUPAC4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
SMILESCCS(=O)(=O)CCC(CO)c1cccc(F)c1
InChIInChI=1S/C12H17FO3S/c1-2-17(15,16)7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11,14H,2,6-7,9H2,1H3
InChIKeyFCYKQOAVYJHDIL-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.73
Rot. Bonds6

About 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol

4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol (PubChem CID 79431449) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
PubChem CID79431449
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
SMILESCCS(=O)(=O)CCC(CO)c1cccc(F)c1
InChIInChI=1S/C12H17FO3S/c1-2-17(15,16)7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11,14H,2,6-7,9H2,1H3
InChIKeyFCYKQOAVYJHDIL-UHFFFAOYSA-N
XLogP1.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-4-ethylsulfonylbutan-1-ol
CID 79442851
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
2-(3-bromophenyl)-4-methylsulfonylbutan-1-ol
CID 79442931
methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
CID 175141706
1-(1-bromo-4-tert-butylsulfonylbutan-2-yl)-3-fluorobenzene
CID 106734667

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol (CID 79431449) is 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol is CCS(=O)(=O)CCC(CO)c1cccc(F)c1.
What is the InChIKey of 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol?
The InChIKey is FCYKQOAVYJHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-2-17(15,16)7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11,14H,2,6-7,9H2,1H3.
What are the key properties of 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol?
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol has a molecular weight of 260.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol is sourced from PubChem (CID 79431449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).