[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate

C18H14ClFO4S — CID 87484643

IUPAC[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFO4S/c20-15-11-13-18(14-12-15)25(24-19(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyCBJDEOKCKKEHCE-UHFFFAOYSA-N
MW380.82 g/mol
LogP1.94
Rot. Bonds5

About [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate

[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate (PubChem CID 87484643) has the molecular formula C18H14ClFO4S and a molecular weight of 380.82 g/mol. Its IUPAC name is [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
PubChem CID87484643
Molecular FormulaC18H14ClFO4S
Molecular Weight380.82 g/mol
Exact Mass380.03
IUPAC Name[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFO4S/c20-15-11-13-18(14-12-15)25(24-19(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyCBJDEOKCKKEHCE-UHFFFAOYSA-N
XLogP1.94
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The IUPAC name of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate (CID 87484643) is [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The canonical SMILES for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate is [O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
The InChIKey is CBJDEOKCKKEHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO4S/c20-15-11-13-18(14-12-15)25(24-19(21,22)23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate?
[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate has a molecular weight of 380.82 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 87484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).