5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole

C11H7F6N3O2 — CID 174566091

IUPAC5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole
SMILESCOc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H7F6N3O2/c1-21-9-8(10(12,13)14)18-19-20(9)6-4-2-3-5-7(6)22-11(15,16)17/h2-5H,1H3
InChIKeySXGXQSPFFXIXSQ-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.19
Rot. Bonds3

About 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole

5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole (PubChem CID 174566091) has the molecular formula C11H7F6N3O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole
PubChem CID174566091
Molecular FormulaC11H7F6N3O2
Molecular Weight327.18 g/mol
Exact Mass327.04
IUPAC Name5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole
SMILESCOc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H7F6N3O2/c1-21-9-8(10(12,13)14)18-19-20(9)6-4-2-3-5-7(6)22-11(15,16)17/h2-5H,1H3
InChIKeySXGXQSPFFXIXSQ-UHFFFAOYSA-N
XLogP3.19
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole?
The IUPAC name of 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole (CID 174566091) is 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole is COc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole?
The InChIKey is SXGXQSPFFXIXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3O2/c1-21-9-8(10(12,13)14)18-19-20(9)6-4-2-3-5-7(6)22-11(15,16)17/h2-5H,1H3.
What are the key properties of 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole?
5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole has a molecular weight of 327.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)triazole is sourced from PubChem (CID 174566091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).