4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole

C16H13F2N3O2 — CID 155653365

IUPAC4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole
SMILESFC(F)Oc1ccc(-c2ccc(COc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C16H13F2N3O2/c17-16(18)23-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-22-15-9-19-21-20-15/h1-9,16H,10H2,(H,19,20,21)
InChIKeyMFDNLDJJCSOYRE-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.65
Rot. Bonds6

About 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole

4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole (PubChem CID 155653365) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole.

Molecular Properties

Compound Name4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole
PubChem CID155653365
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole
SMILESFC(F)Oc1ccc(-c2ccc(COc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C16H13F2N3O2/c17-16(18)23-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-22-15-9-19-21-20-15/h1-9,16H,10H2,(H,19,20,21)
InChIKeyMFDNLDJJCSOYRE-UHFFFAOYSA-N
XLogP3.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole?
The IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole (CID 155653365) is 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole.
What is the SMILES notation for 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole?
The canonical SMILES for 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole is FC(F)Oc1ccc(-c2ccc(COc3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole?
The InChIKey is MFDNLDJJCSOYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-16(18)23-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-22-15-9-19-21-20-15/h1-9,16H,10H2,(H,19,20,21).
What are the key properties of 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole?
4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole has a molecular weight of 317.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole is sourced from PubChem (CID 155653365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).