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

C12H17FO3S — CID 79448797

IUPAC4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
SMILESCCS(=O)(=O)CCC(CO)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-2-17(15,16)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyCZCVSPZPDJYIPR-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.73
Rot. Bonds6

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

4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol (PubChem CID 79448797) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
PubChem CID79448797
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
SMILESCCS(=O)(=O)CCC(CO)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-2-17(15,16)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyCZCVSPZPDJYIPR-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-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-(3-bromophenyl)-4-ethylsulfonylbutan-1-ol
CID 79442851
2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol (CID 79448797) is 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol is CCS(=O)(=O)CCC(CO)c1ccccc1F.
What is the InChIKey of 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol?
The InChIKey is CZCVSPZPDJYIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-2-17(15,16)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol?
4-ethylsulfonyl-2-(2-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-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 79448797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).