1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone

C15H10F2N4OS — CID 709338

IUPAC1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10F2N4OS/c16-11-3-1-10(2-4-11)14(22)9-23-15-18-19-20-21(15)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyMUHGQJXIEHWMLN-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone

1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 709338) has the molecular formula C15H10F2N4OS and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID709338
Molecular FormulaC15H10F2N4OS
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10F2N4OS/c16-11-3-1-10(2-4-11)14(22)9-23-15-18-19-20-21(15)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyMUHGQJXIEHWMLN-UHFFFAOYSA-N
XLogP2.92
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone (CID 709338) is 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is MUHGQJXIEHWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4OS/c16-11-3-1-10(2-4-11)14(22)9-23-15-18-19-20-21(15)13-7-5-12(17)6-8-13/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 332.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 709338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).