5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole

C14H11FN4O — CID 21214695

IUPAC5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H11FN4O/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19)
InChIKeyIZPNNRZVLZMFCD-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.58
Rot. Bonds4

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

5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 21214695) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID21214695
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H11FN4O/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19)
InChIKeyIZPNNRZVLZMFCD-UHFFFAOYSA-N
XLogP2.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole (CID 21214695) is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole is Fc1ccccc1COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is IZPNNRZVLZMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19).
What are the key properties of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 270.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 21214695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).