1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole

C17H17F2N3O — CID 57378723

IUPAC1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole
SMILESCC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n1ccnn1
InChIInChI=1S/C17H17F2N3O/c1-11(2)16(22-8-7-20-21-22)14-4-3-13-10-15(23-17(18)19)6-5-12(13)9-14/h3-11,16-17H,1-2H3
InChIKeyOZWDNOYCEUNWNU-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.28
Rot. Bonds5

About 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole

1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole (PubChem CID 57378723) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole.

Molecular Properties

Compound Name1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole
PubChem CID57378723
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole
SMILESCC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n1ccnn1
InChIInChI=1S/C17H17F2N3O/c1-11(2)16(22-8-7-20-21-22)14-4-3-13-10-15(23-17(18)19)6-5-12(13)9-14/h3-11,16-17H,1-2H3
InChIKeyOZWDNOYCEUNWNU-UHFFFAOYSA-N
XLogP4.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole?
The IUPAC name of 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole (CID 57378723) is 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole.
What is the SMILES notation for 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole?
The canonical SMILES for 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole is CC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n1ccnn1.
What is the InChIKey of 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole?
The InChIKey is OZWDNOYCEUNWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-11(2)16(22-8-7-20-21-22)14-4-3-13-10-15(23-17(18)19)6-5-12(13)9-14/h3-11,16-17H,1-2H3.
What are the key properties of 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole?
1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole has a molecular weight of 317.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]triazole is sourced from PubChem (CID 57378723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).