[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine

C11H14F2N2 — CID 105246729

IUPAC[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-7(2)6-10(15-14)11-8(12)4-3-5-9(11)13/h3-5,10,15H,1,6,14H2,2H3
InChIKeyIWUPYZCMMMQVNB-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.44
Rot. Bonds4

About [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine

[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105246729) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
PubChem CID105246729
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-7(2)6-10(15-14)11-8(12)4-3-5-9(11)13/h3-5,10,15H,1,6,14H2,2H3
InChIKeyIWUPYZCMMMQVNB-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.44
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

[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine
CID 105319560
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
(1S)-1-(2-chloro-6-fluorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219703
[3-methyl-1-(6-methyl-2-pyridinyl)but-3-enyl]hydrazine
CID 105219222
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
1-(2-chloro-3-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003778
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319639
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171227347
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine (CID 105246729) is [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1c(F)cccc1F.
What is the InChIKey of [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is IWUPYZCMMMQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-7(2)6-10(15-14)11-8(12)4-3-5-9(11)13/h3-5,10,15H,1,6,14H2,2H3.
What are the key properties of [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine?
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 212.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105246729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).