1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole

C14H10ClFN4O — CID 2437804

IUPAC1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2ccc(-n3cnnn3)cc2)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-14-7-11(16)2-1-10(14)8-21-13-5-3-12(4-6-13)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyXBZIZKJMGJOZBC-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole

1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole (PubChem CID 2437804) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole
PubChem CID2437804
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2ccc(-n3cnnn3)cc2)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-14-7-11(16)2-1-10(14)8-21-13-5-3-12(4-6-13)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyXBZIZKJMGJOZBC-UHFFFAOYSA-N
XLogP3.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole (CID 2437804) is 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole is Fc1ccc(COc2ccc(-n3cnnn3)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole?
The InChIKey is XBZIZKJMGJOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-14-7-11(16)2-1-10(14)8-21-13-5-3-12(4-6-13)20-9-17-18-19-20/h1-7,9H,8H2.
What are the key properties of 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole?
1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole has a molecular weight of 304.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 2437804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).