4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene

C17H25FO3S — CID 58218133

IUPAC4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene
SMILESCCCCS(=O)(=O)CCc1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C17H25FO3S/c1-2-3-11-22(19,20)12-10-14-8-9-16(18)17(13-14)21-15-6-4-5-7-15/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyJFXUNNIYOMVPET-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.90
Rot. Bonds8

About 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene

4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene (PubChem CID 58218133) has the molecular formula C17H25FO3S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene.

Molecular Properties

Compound Name4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene
PubChem CID58218133
Molecular FormulaC17H25FO3S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene
SMILESCCCCS(=O)(=O)CCc1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C17H25FO3S/c1-2-3-11-22(19,20)12-10-14-8-9-16(18)17(13-14)21-15-6-4-5-7-15/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyJFXUNNIYOMVPET-UHFFFAOYSA-N
XLogP3.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene?
The IUPAC name of 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene (CID 58218133) is 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene.
What is the SMILES notation for 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene?
The canonical SMILES for 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene is CCCCS(=O)(=O)CCc1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene?
The InChIKey is JFXUNNIYOMVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO3S/c1-2-3-11-22(19,20)12-10-14-8-9-16(18)17(13-14)21-15-6-4-5-7-15/h8-9,13,15H,2-7,10-12H2,1H3.
What are the key properties of 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene?
4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene has a molecular weight of 328.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene is sourced from PubChem (CID 58218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).