1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one

C14H10F2N4O2 — CID 67630516

IUPAC1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one
SMILESO=c1n(OCc2ccc(F)cc2)nnn1-c1ccccc1F
InChIInChI=1S/C14H10F2N4O2/c15-11-7-5-10(6-8-11)9-22-20-14(21)19(17-18-20)13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyDXYVIMSXQNUOSX-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one

1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one (PubChem CID 67630516) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one
PubChem CID67630516
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one
SMILESO=c1n(OCc2ccc(F)cc2)nnn1-c1ccccc1F
InChIInChI=1S/C14H10F2N4O2/c15-11-7-5-10(6-8-11)9-22-20-14(21)19(17-18-20)13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyDXYVIMSXQNUOSX-UHFFFAOYSA-N
XLogP1.34
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one?
The IUPAC name of 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one (CID 67630516) is 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one is O=c1n(OCc2ccc(F)cc2)nnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one?
The InChIKey is DXYVIMSXQNUOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-11-7-5-10(6-8-11)9-22-20-14(21)19(17-18-20)13-4-2-1-3-12(13)16/h1-8H,9H2.
What are the key properties of 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one?
1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one has a molecular weight of 304.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one is sourced from PubChem (CID 67630516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).