5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole

C10H8BrF3N4O2 — CID 107043127

IUPAC5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
SMILESCn1nnc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C10H8BrF3N4O2/c1-18-16-9(15-17-18)5-19-6-2-3-8(7(11)4-6)20-10(12,13)14/h2-4H,5H2,1H3
InChIKeyBZEXKSUVBCZQCW-UHFFFAOYSA-N
MW353.10 g/mol
LogP2.45
Rot. Bonds4

About 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole

5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole (PubChem CID 107043127) has the molecular formula C10H8BrF3N4O2 and a molecular weight of 353.10 g/mol. Its IUPAC name is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
PubChem CID107043127
Molecular FormulaC10H8BrF3N4O2
Molecular Weight353.10 g/mol
Exact Mass351.98
IUPAC Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
SMILESCn1nnc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C10H8BrF3N4O2/c1-18-16-9(15-17-18)5-19-6-2-3-8(7(11)4-6)20-10(12,13)14/h2-4H,5H2,1H3
InChIKeyBZEXKSUVBCZQCW-UHFFFAOYSA-N
XLogP2.45
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
CID 102674590
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
CID 102714697
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568

Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole?
The IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole (CID 107043127) is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole?
The canonical SMILES for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole is Cn1nnc(COc2ccc(OC(F)(F)F)c(Br)c2)n1.
What is the InChIKey of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole?
The InChIKey is BZEXKSUVBCZQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4O2/c1-18-16-9(15-17-18)5-19-6-2-3-8(7(11)4-6)20-10(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole?
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole has a molecular weight of 353.10 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole is sourced from PubChem (CID 107043127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).