4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole

C12H11F2N3 — CID 140879668

IUPAC4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole
SMILESC=C(CC)c1cn(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C12H11F2N3/c1-3-8(2)11-7-17(16-15-11)12-6-9(13)4-5-10(12)14/h4-7H,2-3H2,1H3
InChIKeyZCBNLGFWKMVUHP-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.97
Rot. Bonds3

About 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole

4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole (PubChem CID 140879668) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole.

Molecular Properties

Compound Name4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole
PubChem CID140879668
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole
SMILESC=C(CC)c1cn(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C12H11F2N3/c1-3-8(2)11-7-17(16-15-11)12-6-9(13)4-5-10(12)14/h4-7H,2-3H2,1H3
InChIKeyZCBNLGFWKMVUHP-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]-1-(2,5-difluorophenyl)triazole
CID 135133408
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
CID 114419303
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol
CID 142379703
ethyl 4-chloro-1-(2,5-difluorophenyl)pyrazole-3-carboxylate
CID 155291590
7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518771
1-(2,5-difluorophenyl)triazole
CID 169324324
1-(2,5-difluorophenyl)pyrazole-3-carboxylic acid
CID 43363474
[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol
CID 71190381
ethyl 1-(3-fluoro-2-methylphenyl)triazole-4-carboxylate
CID 122241161
ethyl 1-(5-chloro-2-methylphenyl)triazole-4-carboxylate
CID 122241259
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole?
The IUPAC name of 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole (CID 140879668) is 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole.
What is the SMILES notation for 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole?
The canonical SMILES for 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole is C=C(CC)c1cn(-c2cc(F)ccc2F)nn1.
What is the InChIKey of 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole?
The InChIKey is ZCBNLGFWKMVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-3-8(2)11-7-17(16-15-11)12-6-9(13)4-5-10(12)14/h4-7H,2-3H2,1H3.
What are the key properties of 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole?
4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole has a molecular weight of 235.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole is sourced from PubChem (CID 140879668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).