1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine

C10H12ClFN2 — CID 105218181

IUPAC1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2/c1-2-3-10(14-13)7-4-5-9(12)8(11)6-7/h2,4-6,10,14H,1,3,13H2
InChIKeyQTUAIGITNDLXOZ-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine

1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine (PubChem CID 105218181) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
PubChem CID105218181
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2/c1-2-3-10(14-13)7-4-5-9(12)8(11)6-7/h2,4-6,10,14H,1,3,13H2
InChIKeyQTUAIGITNDLXOZ-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-fluorophenyl)but-3-enylhydrazine
CID 107996762
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
CID 105252780
1-(3-chloro-4-fluorophenyl)decylhydrazine
CID 105218123
[1-(3-chloro-4-fluorophenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105218179
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
CID 105289620

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine (CID 105218181) is 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine is C=CCC(NN)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine?
The InChIKey is QTUAIGITNDLXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-2-3-10(14-13)7-4-5-9(12)8(11)6-7/h2,4-6,10,14H,1,3,13H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine?
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine has a molecular weight of 214.67 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine is sourced from PubChem (CID 105218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).