[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium

C24H24FOS+ — CID 170523414

IUPAC[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium
SMILESCCC1(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2F)CCC1
InChIInChI=1S/C24H24FOS/c1-2-24(16-9-17-24)26-23-15-14-21(18-22(23)25)27(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18H,2,9,16-17H2,1H3/q+1
InChIKeyCUKGORJWNODQQY-UHFFFAOYSA-N
MW379.52 g/mol
LogP6.63
Rot. Bonds6

About [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium

[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium (PubChem CID 170523414) has the molecular formula C24H24FOS+ and a molecular weight of 379.52 g/mol. Its IUPAC name is [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium
PubChem CID170523414
Molecular FormulaC24H24FOS+
Molecular Weight379.52 g/mol
Exact Mass379.15
IUPAC Name[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium
SMILESCCC1(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2F)CCC1
InChIInChI=1S/C24H24FOS/c1-2-24(16-9-17-24)26-23-15-14-21(18-22(23)25)27(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18H,2,9,16-17H2,1H3/q+1
InChIKeyCUKGORJWNODQQY-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-ethylcyclopentyl)oxy-3-fluorophenyl]-diphenylsulfanium
CID 170523471
[4-(1-tert-butylcyclopropyl)oxy-3-fluorophenyl]-diphenylsulfanium
CID 170523351
[3-fluoro-4-(1-prop-1-en-2-ylcyclopentyl)oxyphenyl]-diphenylsulfanium
CID 170523253
[4-(1-ethenylcyclohexyl)oxy-3-fluorophenyl]-diphenylsulfanium
CID 170523584
[3-fluoro-4-[(2-methyl-2-adamantyl)oxy]phenyl]-diphenylsulfanium
CID 170523546
[4-[2-(1-ethynylcyclopropyl)oxy-2-oxoethoxy]-3-fluorophenyl]-diphenylsulfanium
CID 169050571
[1-(2,4-difluorophenoxy)cyclohexyl]methanol
CID 82130117
tris[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]sulfanium
CID 170523585
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
CID 103273829
[3-fluoro-4-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-yloxy]phenyl]-diphenylsulfanium
CID 170523317
[4-[(4-ethenyl-4-tricyclo[4.3.1.03,8]decanyl)oxy]-3-fluorophenyl]-diphenylsulfanium
CID 170523567

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium?
The IUPAC name of [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium (CID 170523414) is [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium.
What is the SMILES notation for [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium?
The canonical SMILES for [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium is CCC1(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2F)CCC1.
What is the InChIKey of [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium?
The InChIKey is CUKGORJWNODQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FOS/c1-2-24(16-9-17-24)26-23-15-14-21(18-22(23)25)27(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18H,2,9,16-17H2,1H3/q+1.
What are the key properties of [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium?
[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium has a molecular weight of 379.52 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium is sourced from PubChem (CID 170523414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).