1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole

C14H11FN4O — CID 16766565

IUPAC1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole
SMILESCc1nnnn1-c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O/c1-10-16-17-18-19(10)13-4-2-3-5-14(13)20-12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyKRGMDSJKKDCKPA-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.90
Rot. Bonds3

About 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole

1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole (PubChem CID 16766565) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole
PubChem CID16766565
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole
SMILESCc1nnnn1-c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O/c1-10-16-17-18-19(10)13-4-2-3-5-14(13)20-12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyKRGMDSJKKDCKPA-UHFFFAOYSA-N
XLogP2.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole?
The IUPAC name of 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole (CID 16766565) is 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole?
The canonical SMILES for 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole is Cc1nnnn1-c1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole?
The InChIKey is KRGMDSJKKDCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-10-16-17-18-19(10)13-4-2-3-5-14(13)20-12-8-6-11(15)7-9-12/h2-9H,1H3.
What are the key properties of 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole?
1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole has a molecular weight of 270.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)phenyl]-5-methyltetrazole is sourced from PubChem (CID 16766565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).