1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol

C17H17F2N3O2 — CID 69281314

IUPAC1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(OC(F)F)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C17H17F2N3O2/c1-10(2)17(23,15-9-20-22-21-15)13-5-3-12-8-14(24-16(18)19)6-4-11(12)7-13/h3-10,16,23H,1-2H3,(H,20,21,22)
InChIKeyDLIXONPOBWMUIO-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.45
Rot. Bonds5

About 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol

1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol (PubChem CID 69281314) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
PubChem CID69281314
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(OC(F)F)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C17H17F2N3O2/c1-10(2)17(23,15-9-20-22-21-15)13-5-3-12-8-14(24-16(18)19)6-4-11(12)7-13/h3-10,16,23H,1-2H3,(H,20,21,22)
InChIKeyDLIXONPOBWMUIO-UHFFFAOYSA-N
XLogP3.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The IUPAC name of 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol (CID 69281314) is 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol is CC(C)C(O)(c1ccc2cc(OC(F)F)ccc2c1)c1cn[nH]n1.
What is the InChIKey of 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is DLIXONPOBWMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-10(2)17(23,15-9-20-22-21-15)13-5-3-12-8-14(24-16(18)19)6-4-11(12)7-13/h3-10,16,23H,1-2H3,(H,20,21,22).
What are the key properties of 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 333.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 69281314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).