1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine

C10H9F3N2 — CID 105281540

IUPAC1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3N2/c1-2-3-9(15-14)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,15H,3,14H2
InChIKeyRLYSIQUYEOHFPP-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine

1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine (PubChem CID 105281540) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
PubChem CID105281540
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3N2/c1-2-3-9(15-14)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,15H,3,14H2
InChIKeyRLYSIQUYEOHFPP-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105323768
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681
[2-(3,4-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105330397
1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine
CID 130594782
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435
[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105322975
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
CID 107970024
1-(2,3,5,6-tetrafluorophenyl)but-3-yn-1-ol
CID 54003899
1-(2,4,6-trifluorophenyl)prop-2-enylhydrazine
CID 105318054
N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine
CID 104995664

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine?
The IUPAC name of 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine (CID 105281540) is 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine is C#CCC(NN)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine?
The InChIKey is RLYSIQUYEOHFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-3-9(15-14)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,15H,3,14H2.
What are the key properties of 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine?
1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine has a molecular weight of 214.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine is sourced from PubChem (CID 105281540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).