4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide

C11H8ClF3N2O2 — CID 19597245

IUPAC4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide
SMILESO=C(CC(F)=C(F)F)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClF3N2O2/c12-7-3-1-6(2-4-7)11(19)17-16-9(18)5-8(13)10(14)15/h1-4H,5H2,(H,16,18)(H,17,19)
InChIKeyPTHPTHAJNYRCBU-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide

4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide (PubChem CID 19597245) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide
PubChem CID19597245
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide
SMILESO=C(CC(F)=C(F)F)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClF3N2O2/c12-7-3-1-6(2-4-7)11(19)17-16-9(18)5-8(13)10(14)15/h1-4H,5H2,(H,16,18)(H,17,19)
InChIKeyPTHPTHAJNYRCBU-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide (CID 19597245) is 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide is O=C(CC(F)=C(F)F)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide?
The InChIKey is PTHPTHAJNYRCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-7-3-1-6(2-4-7)11(19)17-16-9(18)5-8(13)10(14)15/h1-4H,5H2,(H,16,18)(H,17,19).
What are the key properties of 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide?
4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide has a molecular weight of 292.64 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3,4,4-trifluorobut-3-enoyl)benzohydrazide is sourced from PubChem (CID 19597245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).