1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine

C12H17FN2 — CID 105311474

IUPAC1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1cc(C)ccc1F
InChIInChI=1S/C12H17FN2/c1-3-4-5-12(15-14)10-8-9(2)6-7-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3
InChIKeyBOWQYFIAWVLMCW-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine

1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine (PubChem CID 105311474) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
PubChem CID105311474
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1cc(C)ccc1F
InChIInChI=1S/C12H17FN2/c1-3-4-5-12(15-14)10-8-9(2)6-7-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3
InChIKeyBOWQYFIAWVLMCW-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.60
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

(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
CID 105311522
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
[1-(2-fluoro-5-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105302713
[1-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105302706
1-(2-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105215376
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine (CID 105311474) is 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine is C=CCCC(NN)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine?
The InChIKey is BOWQYFIAWVLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-4-5-12(15-14)10-8-9(2)6-7-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine?
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine has a molecular weight of 208.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine is sourced from PubChem (CID 105311474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).