1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one

C9H9FN4O2 — CID 67226759

IUPAC1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2ccc(OCF)cc2)c1=O
InChIInChI=1S/C9H9FN4O2/c1-13-9(15)14(12-11-13)7-2-4-8(5-3-7)16-6-10/h2-5H,6H2,1H3
InChIKeyAOUUWJQNMYVPGU-UHFFFAOYSA-N
MW224.20 g/mol
LogP0.27
Rot. Bonds3

About 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one

1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one (PubChem CID 67226759) has the molecular formula C9H9FN4O2 and a molecular weight of 224.20 g/mol. Its IUPAC name is 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one
PubChem CID67226759
Molecular FormulaC9H9FN4O2
Molecular Weight224.20 g/mol
Exact Mass224.07
IUPAC Name1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2ccc(OCF)cc2)c1=O
InChIInChI=1S/C9H9FN4O2/c1-13-9(15)14(12-11-13)7-2-4-8(5-3-7)16-6-10/h2-5H,6H2,1H3
InChIKeyAOUUWJQNMYVPGU-UHFFFAOYSA-N
XLogP0.27
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one (CID 67226759) is 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one is Cn1nnn(-c2ccc(OCF)cc2)c1=O.
What is the InChIKey of 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one?
The InChIKey is AOUUWJQNMYVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c1-13-9(15)14(12-11-13)7-2-4-8(5-3-7)16-6-10/h2-5H,6H2,1H3.
What are the key properties of 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one?
1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one has a molecular weight of 224.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 67226759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).