[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium

C12H7F2OS+ — CID 174486485

IUPAC[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium
SMILESO=[S+]c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C12H7F2OS/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)16-15/h1-7H/q+1
InChIKeyYYNQJYCZSKSYGK-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.42
Rot. Bonds2

About [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium

[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium (PubChem CID 174486485) has the molecular formula C12H7F2OS+ and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium.

Molecular Properties

Compound Name[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium
PubChem CID174486485
Molecular FormulaC12H7F2OS+
Molecular Weight237.25 g/mol
Exact Mass237.02
IUPAC Name[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium
SMILESO=[S+]c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C12H7F2OS/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)16-15/h1-7H/q+1
InChIKeyYYNQJYCZSKSYGK-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.42
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

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
1-fluoro-4-(4-fluorophenyl)-2-(isocyanatomethyl)benzene
CID 117364309
2,2,2-trifluoro-1-[2-fluoro-4-(4-fluorophenyl)phenyl]-N,N-dimethylethanamine
CID 176572853
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905
1-fluoro-4-(4-fluorophenyl)-2-(1-isocyanatocyclopropyl)benzene
CID 117430682
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium?
The IUPAC name of [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium (CID 174486485) is [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium.
What is the SMILES notation for [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium?
The canonical SMILES for [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium is O=[S+]c1cc(-c2ccc(F)cc2)ccc1F.
What is the InChIKey of [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium?
The InChIKey is YYNQJYCZSKSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2OS/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)16-15/h1-7H/q+1.
What are the key properties of [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium?
[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium has a molecular weight of 237.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium is sourced from PubChem (CID 174486485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).