1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine

C10H11FN2O — CID 105315530

IUPAC1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C10H11FN2O/c1-3-9(13-12)7-4-5-8(11)10(6-7)14-2/h1,4-6,9,13H,12H2,2H3
InChIKeyXBYHXCJAIILECD-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.97
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine

1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105315530) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
PubChem CID105315530
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C10H11FN2O/c1-3-9(13-12)7-4-5-8(11)10(6-7)14-2/h1,4-6,9,13H,12H2,2H3
InChIKeyXBYHXCJAIILECD-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-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine
CID 105252451
1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
CID 105315456
1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
CID 105315476
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
[2-ethoxy-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105321213
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105322605
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226821
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
[(4-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105305835

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine (CID 105315530) is 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is XBYHXCJAIILECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-3-9(13-12)7-4-5-8(11)10(6-7)14-2/h1,4-6,9,13H,12H2,2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine?
1-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).