5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole

C9H9FN4O — CID 82126586

IUPAC5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1Cc1nn[nH]n1
InChIInChI=1S/C9H9FN4O/c1-15-8-3-2-7(10)4-6(8)5-9-11-13-14-12-9/h2-4H,5H2,1H3,(H,11,12,13,14)
InChIKeyUEZZTWJRHHYURC-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.94
Rot. Bonds3

About 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole

5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole (PubChem CID 82126586) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
PubChem CID82126586
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1Cc1nn[nH]n1
InChIInChI=1S/C9H9FN4O/c1-15-8-3-2-7(10)4-6(8)5-9-11-13-14-12-9/h2-4H,5H2,1H3,(H,11,12,13,14)
InChIKeyUEZZTWJRHHYURC-UHFFFAOYSA-N
XLogP0.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole
CID 154788580
2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82302552
2-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 96663708
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
CID 95466802
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
5-[[3-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)pyrazol-4-yl]methyl]-2H-tetrazole
CID 25152876
5-[dichloro-(3,6-difluoro-2-methoxyphenyl)methyl]-2H-tetrazole;1,4-difluoro-2-methoxybenzene
CID 87323036

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole (CID 82126586) is 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole is COc1ccc(F)cc1Cc1nn[nH]n1.
What is the InChIKey of 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole?
The InChIKey is UEZZTWJRHHYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-15-8-3-2-7(10)4-6(8)5-9-11-13-14-12-9/h2-4H,5H2,1H3,(H,11,12,13,14).
What are the key properties of 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole?
5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole has a molecular weight of 208.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 82126586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).