2-(3,4,4-trifluorobut-3-enyl)benzohydrazide

C11H11F3N2O — CID 152530690

IUPAC2-(3,4,4-trifluorobut-3-enyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CCC(F)=C(F)F
InChIInChI=1S/C11H11F3N2O/c12-9(10(13)14)6-5-7-3-1-2-4-8(7)11(17)16-15/h1-4H,5-6,15H2,(H,16,17)
InChIKeyYJLZJVAGZZJPEP-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.30
Rot. Bonds4

About 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide

2-(3,4,4-trifluorobut-3-enyl)benzohydrazide (PubChem CID 152530690) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enyl)benzohydrazide
PubChem CID152530690
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(3,4,4-trifluorobut-3-enyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CCC(F)=C(F)F
InChIInChI=1S/C11H11F3N2O/c12-9(10(13)14)6-5-7-3-1-2-4-8(7)11(17)16-15/h1-4H,5-6,15H2,(H,16,17)
InChIKeyYJLZJVAGZZJPEP-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide (CID 152530690) is 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide is NNC(=O)c1ccccc1CCC(F)=C(F)F.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide?
The InChIKey is YJLZJVAGZZJPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-9(10(13)14)6-5-7-3-1-2-4-8(7)11(17)16-15/h1-4H,5-6,15H2,(H,16,17).
What are the key properties of 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide?
2-(3,4,4-trifluorobut-3-enyl)benzohydrazide has a molecular weight of 244.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enyl)benzohydrazide is sourced from PubChem (CID 152530690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).