1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene

C19H16F6O2S — CID 118212095

IUPAC1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C19H16F6O2S/c20-15-7-9-16(10-8-15)28(26,27)17(11-1-2-12-17)13-3-5-14(6-4-13)18(21,22)19(23,24)25/h3-10H,1-2,11-12H2
InChIKeyKJBOMDJCASACMS-UHFFFAOYSA-N
MW422.39 g/mol
LogP5.72
Rot. Bonds4

About 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene

1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 118212095) has the molecular formula C19H16F6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID118212095
Molecular FormulaC19H16F6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C19H16F6O2S/c20-15-7-9-16(10-8-15)28(26,27)17(11-1-2-12-17)13-3-5-14(6-4-13)18(21,22)19(23,24)25/h3-10H,1-2,11-12H2
InChIKeyKJBOMDJCASACMS-UHFFFAOYSA-N
XLogP5.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.39
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene (CID 118212095) is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(F)C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is KJBOMDJCASACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6O2S/c20-15-7-9-16(10-8-15)28(26,27)17(11-1-2-12-17)13-3-5-14(6-4-13)18(21,22)19(23,24)25/h3-10H,1-2,11-12H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene?
1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 422.39 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 118212095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).