4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole

C15H24FN3 — CID 88942284

IUPAC4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole
SMILESCCC(C)(CC)C(C)=C=C(C)c1cn(CCF)nn1
InChIInChI=1S/C15H24FN3/c1-6-15(5,7-2)13(4)10-12(3)14-11-19(9-8-16)18-17-14/h11H,6-9H2,1-5H3
InChIKeyXSMKZEZXBDJEBI-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.02
Rot. Bonds6

About 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole

4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole (PubChem CID 88942284) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole.

Molecular Properties

Compound Name4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole
PubChem CID88942284
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole
SMILESCCC(C)(CC)C(C)=C=C(C)c1cn(CCF)nn1
InChIInChI=1S/C15H24FN3/c1-6-15(5,7-2)13(4)10-12(3)14-11-19(9-8-16)18-17-14/h11H,6-9H2,1-5H3
InChIKeyXSMKZEZXBDJEBI-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 126982419
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
2,2,2-trifluoro-1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 80694821
1-(2-fluoroethyl)triazole-4-carboxylic acid;prop-2-ynoic acid
CID 160983229
2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine
CID 160731943
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
1-[1-(2-ethyl-2-hydroxybutyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 114496931
2,2,2-trifluoro-1-(1-nonyltriazol-4-yl)ethanone
CID 62580885
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
CID 146397272
4-bromo-5-[1-(2-fluoroethyl)triazol-4-yl]-1-methyltriazole
CID 167765360
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole?
The IUPAC name of 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole (CID 88942284) is 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole.
What is the SMILES notation for 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole?
The canonical SMILES for 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole is CCC(C)(CC)C(C)=C=C(C)c1cn(CCF)nn1.
What is the InChIKey of 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole?
The InChIKey is XSMKZEZXBDJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-6-15(5,7-2)13(4)10-12(3)14-11-19(9-8-16)18-17-14/h11H,6-9H2,1-5H3.
What are the key properties of 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole?
4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole has a molecular weight of 265.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-4,5-dimethylhepta-2,3-dien-2-yl)-1-(2-fluoroethyl)triazole is sourced from PubChem (CID 88942284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).