[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine

C11H11F5N2 — CID 105319560

IUPAC[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2/c1-4(2)3-5(18-17)6-7(12)9(14)11(16)10(15)8(6)13/h5,18H,1,3,17H2,2H3
InChIKeyFXOUSAPLUNSHLD-UHFFFAOYSA-N
MW266.21 g/mol
LogP2.85
Rot. Bonds4

About [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine

[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine (PubChem CID 105319560) has the molecular formula C11H11F5N2 and a molecular weight of 266.21 g/mol. Its IUPAC name is [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine
PubChem CID105319560
Molecular FormulaC11H11F5N2
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2/c1-4(2)3-5(18-17)6-7(12)9(14)11(16)10(15)8(6)13/h5,18H,1,3,17H2,2H3
InChIKeyFXOUSAPLUNSHLD-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
(1R)-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-en-1-amine;hydrochloride
CID 171210318
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
[3-methyl-1-(5-methylfuran-3-yl)but-3-enyl]hydrazine
CID 105319592
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
(3-methyl-1-pyrazin-2-ylbut-3-enyl)hydrazine
CID 105203463
[2-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl]hydrazine
CID 105299069
[3-methyl-1-(4-propan-2-ylthiadiazol-5-yl)but-3-enyl]hydrazine
CID 105319688
[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105319474

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine (CID 105319560) is [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine is C=C(C)CC(NN)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine?
The InChIKey is FXOUSAPLUNSHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2/c1-4(2)3-5(18-17)6-7(12)9(14)11(16)10(15)8(6)13/h5,18H,1,3,17H2,2H3.
What are the key properties of [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine?
[3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine has a molecular weight of 266.21 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-enyl]hydrazine is sourced from PubChem (CID 105319560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).