5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole

C15H13FN4O — CID 748005

IUPAC5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole
SMILESCn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C15H13FN4O/c1-20-18-15(17-19-20)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyHAYAWULVCBYAFP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.60
Rot. Bonds4

About 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole

5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole (PubChem CID 748005) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole
PubChem CID748005
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole
SMILESCn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C15H13FN4O/c1-20-18-15(17-19-20)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyHAYAWULVCBYAFP-UHFFFAOYSA-N
XLogP2.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole?
The IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole (CID 748005) is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole is Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole?
The InChIKey is HAYAWULVCBYAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-18-15(17-19-20)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3.
What are the key properties of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole?
5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole has a molecular weight of 284.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyltetrazole is sourced from PubChem (CID 748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).