1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene

C26H20F8O3S — CID 118220790

IUPAC1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Oc3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C26H20F8O3S/c27-19-7-11-21(12-8-19)37-24(25(29,30)31,26(32,33)34)18-5-3-17(4-6-18)23(15-1-2-16-23)38(35,36)22-13-9-20(28)10-14-22/h3-14H,1-2,15-16H2
InChIKeyUNRSJOVZOZFVNJ-UHFFFAOYSA-N
MW564.49 g/mol
LogP7.61
Rot. Bonds6

About 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene

1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene (PubChem CID 118220790) has the molecular formula C26H20F8O3S and a molecular weight of 564.49 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene
PubChem CID118220790
Molecular FormulaC26H20F8O3S
Molecular Weight564.49 g/mol
Exact Mass564.10
IUPAC Name1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Oc3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C26H20F8O3S/c27-19-7-11-21(12-8-19)37-24(25(29,30)31,26(32,33)34)18-5-3-17(4-6-18)23(15-1-2-16-23)38(35,36)22-13-9-20(28)10-14-22/h3-14H,1-2,15-16H2
InChIKeyUNRSJOVZOZFVNJ-UHFFFAOYSA-N
XLogP7.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)benzene
CID 122677016
2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
CID 174968414
3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzonitrile
CID 122679521
4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-1-methylcyclohexan-1-amine
CID 118209359
1-[1-(benzenesulfonyl)cyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 150543071
1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
CID 155297823
3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]pyrrolidine
CID 123886335
4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine
CID 175102548
2-[4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonylcyclohexyl]-1-(1-hydroxycyclopropyl)ethanone
CID 158947167
3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]-6-oxabicyclo[3.1.0]hexane
CID 123959621
(1-aminocyclopentyl)-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118217589
1-[(1S,3R)-1-(4-fluorophenyl)sulfonyl-3-methylcyclopentyl]-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 144882080

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene (CID 118220790) is 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Oc3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene?
The InChIKey is UNRSJOVZOZFVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F8O3S/c27-19-7-11-21(12-8-19)37-24(25(29,30)31,26(32,33)34)18-5-3-17(4-6-18)23(15-1-2-16-23)38(35,36)22-13-9-20(28)10-14-22/h3-14H,1-2,15-16H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene?
1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene has a molecular weight of 564.49 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]benzene is sourced from PubChem (CID 118220790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).