5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole

C15H11FN4O2 — CID 772793

IUPAC5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H11FN4O2/c16-12-4-2-1-3-11(12)8-20-18-15(17-19-20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2
InChIKeyMFMWUVIUQORIOZ-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.26
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole

5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole (PubChem CID 772793) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole
PubChem CID772793
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H11FN4O2/c16-12-4-2-1-3-11(12)8-20-18-15(17-19-20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2
InChIKeyMFMWUVIUQORIOZ-UHFFFAOYSA-N
XLogP2.26
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole (CID 772793) is 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole is Fc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole?
The InChIKey is MFMWUVIUQORIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-12-4-2-1-3-11(12)8-20-18-15(17-19-20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole?
5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole has a molecular weight of 298.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl]tetrazole is sourced from PubChem (CID 772793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).