1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol

C13H18ClFO3S — CID 65095941

IUPAC1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFO3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyZSVZGPLQADCUSU-UHFFFAOYSA-N
MW308.80 g/mol
LogP2.60
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol

1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol (PubChem CID 65095941) has the molecular formula C13H18ClFO3S and a molecular weight of 308.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol
PubChem CID65095941
Molecular FormulaC13H18ClFO3S
Molecular Weight308.80 g/mol
Exact Mass308.06
IUPAC Name1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFO3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyZSVZGPLQADCUSU-UHFFFAOYSA-N
XLogP2.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol (CID 65095941) is 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol is CCS(=O)(=O)CCCC(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol?
The InChIKey is ZSVZGPLQADCUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol?
1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol has a molecular weight of 308.80 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol is sourced from PubChem (CID 65095941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).