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

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

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Related Compounds

Seviteronel
CID 78357816
1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
CID 56968076
VT-464 racemate
CID 69093450
2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]propan-1-ol
CID 69281312
VT-464 (R enantiomer)
CID 78357817
1-[6,7-bis(2,2,2-trifluoroethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
CID 90656806
(1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-1-ium-4-yl)propan-1-ol
CID 124220667
(E)-2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 67845699
2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 67845701
4-[1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]-2H-triazole
CID 69092459
4-[1,1-bis[4-(difluoromethoxy)phenyl]-1-fluoropropan-2-yl]-2H-triazole
CID 70462961
1-[6,7-Bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol
CID 71286373

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).