5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole

C16H13F3N4O — CID 155154042

IUPAC5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESCc1cc(C(F)(F)F)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H13F3N4O/c1-10-7-13(16(17,18)19)5-6-14(10)24-9-11-3-2-4-12(8-11)15-20-22-23-21-15/h2-8H,9H2,1H3,(H,20,21,22,23)
InChIKeyWJVNDJULGYUJCI-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.77
Rot. Bonds4

About 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole

5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole (PubChem CID 155154042) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
PubChem CID155154042
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESCc1cc(C(F)(F)F)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H13F3N4O/c1-10-7-13(16(17,18)19)5-6-14(10)24-9-11-3-2-4-12(8-11)15-20-22-23-21-15/h2-8H,9H2,1H3,(H,20,21,22,23)
InChIKeyWJVNDJULGYUJCI-UHFFFAOYSA-N
XLogP3.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10495446
2-{5-[4-(3-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10686384
3-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10711028
3-{5-[4-(3-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10829438
5-{4-[(2-methylbenzyl)oxy]phenyl}-1H-tetrazole
CID 718990
2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol
CID 3720881
5-(4-ethoxyphenyl)-2H-tetrazole
CID 647263

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole (CID 155154042) is 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole is Cc1cc(C(F)(F)F)ccc1OCc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The InChIKey is WJVNDJULGYUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10-7-13(16(17,18)19)5-6-14(10)24-9-11-3-2-4-12(8-11)15-20-22-23-21-15/h2-8H,9H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole has a molecular weight of 334.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155154042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).