1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole

C10H9F2N3 — CID 70517867

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
SMILESFc1ccc(CCn2cncn2)c(F)c1
InChIInChI=1S/C10H9F2N3/c11-9-2-1-8(10(12)5-9)3-4-15-7-13-6-14-15/h1-2,5-7H,3-4H2
InChIKeyKJPWCEKXUITHIL-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.80
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole

1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole (PubChem CID 70517867) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
PubChem CID70517867
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
SMILESFc1ccc(CCn2cncn2)c(F)c1
InChIInChI=1S/C10H9F2N3/c11-9-2-1-8(10(12)5-9)3-4-15-7-13-6-14-15/h1-2,5-7H,3-4H2
InChIKeyKJPWCEKXUITHIL-UHFFFAOYSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]tetrazole
CID 166395215
1-cyclopropyl-3-[4-fluoro-2-[2-(1,2,4-triazol-1-yl)ethyl]phenyl]propane-1,3-dione
CID 67702038
1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
CID 15008590
1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 173307383
2-[(2,4-difluorophenyl)methylsulfonyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 19813752
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
CID 154489904
3-[5-fluoro-2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 54970141
1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;methane
CID 159552172
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole (CID 70517867) is 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole is Fc1ccc(CCn2cncn2)c(F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole?
The InChIKey is KJPWCEKXUITHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c11-9-2-1-8(10(12)5-9)3-4-15-7-13-6-14-15/h1-2,5-7H,3-4H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole?
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole has a molecular weight of 209.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 70517867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).