5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole

C14H9Cl2FN4O — CID 132593225

IUPAC5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN4O/c15-11-6-10(17)3-1-9(11)7-22-13-4-2-8(5-12(13)16)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyRMOJTSRJVBBCBJ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.89
Rot. Bonds4

About 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593225) has the molecular formula C14H9Cl2FN4O and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593225
Molecular FormulaC14H9Cl2FN4O
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN4O/c15-11-6-10(17)3-1-9(11)7-22-13-4-2-8(5-12(13)16)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyRMOJTSRJVBBCBJ-UHFFFAOYSA-N
XLogP3.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591879
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
2-[(2-chloro-4-fluorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 63292648
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818
4-[(2-chloro-4-fluorophenoxy)methyl]-3-fluorobenzenecarbothioamide
CID 60969992
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole (CID 132593225) is 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole is Fc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is RMOJTSRJVBBCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4O/c15-11-6-10(17)3-1-9(11)7-22-13-4-2-8(5-12(13)16)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21).
What are the key properties of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 339.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).