2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine

C16H10F6N4O2 — CID 130309483

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFc1ccc(-n2cc(COc3ccc(C(F)(F)F)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C16H10F6N4O2/c17-12-3-2-11(5-13(12)28-15(18)19)26-7-10(24-25-26)8-27-14-4-1-9(6-23-14)16(20,21)22/h1-7,15H,8H2
InChIKeyBHASXNIDNFEQDU-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.00
Rot. Bonds6

About 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 130309483) has the molecular formula C16H10F6N4O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine
PubChem CID130309483
Molecular FormulaC16H10F6N4O2
Molecular Weight404.27 g/mol
Exact Mass404.07
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFc1ccc(-n2cc(COc3ccc(C(F)(F)F)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C16H10F6N4O2/c17-12-3-2-11(5-13(12)28-15(18)19)26-7-10(24-25-26)8-27-14-4-1-9(6-23-14)16(20,21)22/h1-7,15H,8H2
InChIKeyBHASXNIDNFEQDU-UHFFFAOYSA-N
XLogP4.00
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine (CID 130309483) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine is Fc1ccc(-n2cc(COc3ccc(C(F)(F)F)cn3)nn2)cc1OC(F)F.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is BHASXNIDNFEQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4O2/c17-12-3-2-11(5-13(12)28-15(18)19)26-7-10(24-25-26)8-27-14-4-1-9(6-23-14)16(20,21)22/h1-7,15H,8H2.
What are the key properties of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 404.27 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130309483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).