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

C10H8F3N3O — CID 155653367

IUPAC4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole
SMILESFC(F)(F)c1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16)
InChIKeyWDRSXNWDTSSGAI-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.40
Rot. Bonds3

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

4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole (PubChem CID 155653367) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole
PubChem CID155653367
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole
SMILESFC(F)(F)c1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16)
InChIKeyWDRSXNWDTSSGAI-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-5-phenylmethoxy-2H-triazole
CID 141212904
4-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazole
CID 155653341
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-(trifluoromethoxy)phenyl]methoxy]-2H-triazole
CID 155653383
pentafluoro-[4-(2H-triazol-4-yloxymethyl)phenyl]-lambda6-sulfane
CID 155653446
4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole
CID 155653470
4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole
CID 155653474
pentafluoro-[4-[4-(2H-triazol-4-yloxymethyl)phenyl]phenyl]-lambda6-sulfane
CID 155653532
4-[4-(trifluoromethyl)phenoxy]-2H-triazole
CID 155653539
4-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazole
CID 155653552

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole (CID 155653367) is 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole is FC(F)(F)c1ccc(COc2cn[nH]n2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole?
The InChIKey is WDRSXNWDTSSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole?
4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole has a molecular weight of 243.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methoxy]-2H-triazole is sourced from PubChem (CID 155653367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).