ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole

C5H5F4N3 — CID 90743890

IUPACethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESC=C.Fc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3.C2H4/c4-2-8-1(9-10-2)3(5,6)7;1-2/h(H,8,9,10);1-2H2
InChIKeyKYTXKSSMIJRUJE-UHFFFAOYSA-N
MW183.11 g/mol
LogP1.76
Rot. Bonds

About ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole

ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 90743890) has the molecular formula C5H5F4N3 and a molecular weight of 183.11 g/mol. Its IUPAC name is ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID90743890
Molecular FormulaC5H5F4N3
Molecular Weight183.11 g/mol
Exact Mass183.04
IUPAC Nameethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESC=C.Fc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3.C2H4/c4-2-8-1(9-10-2)3(5,6)7;1-2/h(H,8,9,10);1-2H2
InChIKeyKYTXKSSMIJRUJE-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 2783212
5-(difluoromethyl)-4H-1,2,4-triazol-3-amine
CID 24702356
5-(difluoromethyl)-3-methyl-1H-1,2,4-triazole
CID 43166739
5-azido-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 135981721
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20684992
5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
CID 20684993
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
CID 20685010
3-isocyano-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 20746472
3-(1-fluoroethenoxy)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20760655
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
CID 22956415
3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 22956420

Frequently Asked Questions

What is the IUPAC name of ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 90743890) is ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole is C=C.Fc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is KYTXKSSMIJRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF4N3.C2H4/c4-2-8-1(9-10-2)3(5,6)7;1-2/h(H,8,9,10);1-2H2.
What are the key properties of ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole?
ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 183.11 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 90743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).