5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole

C10H12F5N3 — CID 61338896

IUPAC5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)C(F)(F)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C10H12F5N3/c11-9(12,10(13,14)15)8-16-7(17-18-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18)
InChIKeyGMAUODZYFWZJFZ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.51
Rot. Bonds2

About 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole

5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole (PubChem CID 61338896) has the molecular formula C10H12F5N3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
PubChem CID61338896
Molecular FormulaC10H12F5N3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)C(F)(F)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C10H12F5N3/c11-9(12,10(13,14)15)8-16-7(17-18-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18)
InChIKeyGMAUODZYFWZJFZ-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 3162005
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120
3,5-dicyclohexyl-1H-1,2,4-triazole
CID 61337945
3-(trifluoromethyl)-5-undecyl-1H-1,2,4-triazole
CID 11822427
1H-1,2,4-Triazole, 3-(heptadecafluorooctyl)-5-methyl-
CID 12117507
5-pentyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 10013238
5-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole
CID 21898537
5-butyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
CID 21899031
3-(1,1-difluorobutyl)-5-pentyl-1H-1,2,4-triazole
CID 57058217
5-butan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 123626692
5-octan-3-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 142797788
5-methyl-3-(3,3,4-trifluoro-2,4-dimethylpentan-2-yl)-1H-1,2,4-triazole
CID 144041882

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole (CID 61338896) is 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole is FC(F)(F)C(F)(F)c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole?
The InChIKey is GMAUODZYFWZJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3/c11-9(12,10(13,14)15)8-16-7(17-18-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18).
What are the key properties of 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole has a molecular weight of 269.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61338896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).