5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole

C17H17FN4O — CID 2223801

IUPAC5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C17H17FN4O/c1-12(2)22-20-17(19-21-22)13-7-9-15(10-8-13)23-11-14-5-3-4-6-16(14)18/h3-10,12H,11H2,1-2H3
InChIKeyVCZBQDGLRZUMHS-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.64
Rot. Bonds5

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

5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole (PubChem CID 2223801) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole
PubChem CID2223801
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C17H17FN4O/c1-12(2)22-20-17(19-21-22)13-7-9-15(10-8-13)23-11-14-5-3-4-6-16(14)18/h3-10,12H,11H2,1-2H3
InChIKeyVCZBQDGLRZUMHS-UHFFFAOYSA-N
XLogP3.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.64
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-propan-2-yltetrazole?
The IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole (CID 2223801) is 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole is CC(C)n1nnc(-c2ccc(OCc3ccccc3F)cc2)n1.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole?
The InChIKey is VCZBQDGLRZUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(2)22-20-17(19-21-22)13-7-9-15(10-8-13)23-11-14-5-3-4-6-16(14)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole?
5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-propan-2-yltetrazole has a molecular weight of 312.35 g/mol, XLogP of 3.64, 5 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-propan-2-yltetrazole is sourced from PubChem (CID 2223801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).