1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine

C10H11FN2O — CID 105252451

IUPAC1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1c(F)cccc1OC
InChIInChI=1S/C10H11FN2O/c1-3-8(13-12)10-7(11)5-4-6-9(10)14-2/h1,4-6,8,13H,12H2,2H3
InChIKeyIUXMWDCVKBIZGQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine

1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105252451) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine
PubChem CID105252451
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1c(F)cccc1OC
InChIInChI=1S/C10H11FN2O/c1-3-8(13-12)10-7(11)5-4-6-9(10)14-2/h1,4-6,8,13H,12H2,2H3
InChIKeyIUXMWDCVKBIZGQ-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
[cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252362
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
[2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252351
[(2,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[1-(2-fluoro-6-methoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105252498
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
[(4-ethylphenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252548

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine (CID 105252451) is 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1c(F)cccc1OC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is IUXMWDCVKBIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-3-8(13-12)10-7(11)5-4-6-9(10)14-2/h1,4-6,8,13H,12H2,2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine?
1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine has a molecular weight of 194.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).