1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole

C12H13F3N4O — CID 68953314

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole
SMILESCC(C)(C)Oc1ccccc1-n1nnnc1C(F)(F)F
InChIInChI=1S/C12H13F3N4O/c1-11(2,3)20-9-7-5-4-6-8(9)19-10(12(13,14)15)16-17-18-19/h4-7H,1-3H3
InChIKeySPOBXORMOOAUAP-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.86
Rot. Bonds2

About 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole

1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole (PubChem CID 68953314) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole
PubChem CID68953314
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole
SMILESCC(C)(C)Oc1ccccc1-n1nnnc1C(F)(F)F
InChIInChI=1S/C12H13F3N4O/c1-11(2,3)20-9-7-5-4-6-8(9)19-10(12(13,14)15)16-17-18-19/h4-7H,1-3H3
InChIKeySPOBXORMOOAUAP-UHFFFAOYSA-N
XLogP2.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole (CID 68953314) is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole is CC(C)(C)Oc1ccccc1-n1nnnc1C(F)(F)F.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole?
The InChIKey is SPOBXORMOOAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-11(2,3)20-9-7-5-4-6-8(9)19-10(12(13,14)15)16-17-18-19/h4-7H,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole?
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole has a molecular weight of 286.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 68953314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).