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

C10H9F2N3O2 — CID 155653341

IUPAC4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole
SMILESFC(F)Oc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-8-3-1-7(2-4-8)6-16-9-5-13-15-14-9/h1-5,10H,6H2,(H,13,14,15)
InChIKeyRJFDHDKDNKBMPK-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.99
Rot. Bonds5

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

4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole (PubChem CID 155653341) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole
PubChem CID155653341
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole
SMILESFC(F)Oc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-8-3-1-7(2-4-8)6-16-9-5-13-15-14-9/h1-5,10H,6H2,(H,13,14,15)
InChIKeyRJFDHDKDNKBMPK-UHFFFAOYSA-N
XLogP1.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenoxy)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653439
p-Tolyloxytriazole
CID 129887699
4-[(4-methylphenoxy)methyl]-2H-triazole
CID 134854950
1-[2-(4-allyloxy-2-fluoro-benzyloxy)-ethyl]-1H-[1,2,3]triazole
CID 69293826
4-(2-fluorophenoxy)-2H-triazole
CID 155653338
4-[(2-fluorophenyl)methoxy]-2H-triazole
CID 155653349
4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole
CID 155653359
4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methoxy]-2H-triazole
CID 155653365
4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole
CID 155653367
4-[[4-(trifluoromethoxy)phenyl]methoxy]-2H-triazole
CID 155653383
4-[4-(3-fluorophenyl)phenoxy]-2H-triazole
CID 155653388
4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole
CID 155653411

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole?
The IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole (CID 155653341) is 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole.
What is the SMILES notation for 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole?
The canonical SMILES for 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole is FC(F)Oc1ccc(COc2cn[nH]n2)cc1.
What is the InChIKey of 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole?
The InChIKey is RJFDHDKDNKBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)17-8-3-1-7(2-4-8)6-16-9-5-13-15-14-9/h1-5,10H,6H2,(H,13,14,15).
What are the key properties of 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole?
4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole has a molecular weight of 241.20 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole is sourced from PubChem (CID 155653341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).