N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide

C11H12F2N2O — CID 176904832

IUPACN'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide
SMILESCC(C)=CC(=O)NNc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O/c1-7(2)5-11(16)15-14-8-3-4-9(12)10(13)6-8/h3-6,14H,1-2H3,(H,15,16)
InChIKeyPODCQVXRCJXEMV-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.37
Rot. Bonds3

About N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide

N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide (PubChem CID 176904832) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide
PubChem CID176904832
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide
SMILESCC(C)=CC(=O)NNc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O/c1-7(2)5-11(16)15-14-8-3-4-9(12)10(13)6-8/h3-6,14H,1-2H3,(H,15,16)
InChIKeyPODCQVXRCJXEMV-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide (CID 176904832) is N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide is CC(C)=CC(=O)NNc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide?
The InChIKey is PODCQVXRCJXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7(2)5-11(16)15-14-8-3-4-9(12)10(13)6-8/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide?
N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide has a molecular weight of 226.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-3-methylbut-2-enehydrazide is sourced from PubChem (CID 176904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).