2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole

C15H13FN4O — CID 573142

IUPAC2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H13FN4O/c1-21-13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyJZEUZHHOGHRIQN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole

2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole (PubChem CID 573142) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole
PubChem CID573142
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H13FN4O/c1-21-13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyJZEUZHHOGHRIQN-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473315

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole (CID 573142) is 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole is COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole?
The InChIKey is JZEUZHHOGHRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole?
2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole has a molecular weight of 284.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 573142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).