(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one

C10H9F3N2O — CID 177436392

IUPAC(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
SMILESNN/C(=C/C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(15-14)6-8(16)7-4-2-1-3-5-7/h1-6,15H,14H2/b9-6+
InChIKeyXPGFEEJEPNZJKD-RMKNXTFCSA-N
MW230.19 g/mol
LogP1.78
Rot. Bonds3

About (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one

(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one (PubChem CID 177436392) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
PubChem CID177436392
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
SMILESNN/C(=C/C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(15-14)6-8(16)7-4-2-1-3-5-7/h1-6,15H,14H2/b9-6+
InChIKeyXPGFEEJEPNZJKD-RMKNXTFCSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-3-anilino-4,4,4-trifluoro-1-phenylbut-2-en-1-one);dichlorotitanium
CID 11216193
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
(E)-3-cyclopropyl-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 177493417
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
ethyl (E)-4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
CID 102449794
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
3-amino-4,4,4-trichloro-1-phenylbut-2-en-1-one
CID 67682583
1-amino-3-[(E)-phenacylideneamino]urea
CID 163184752
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 5366057
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one?
The IUPAC name of (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one (CID 177436392) is (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one?
The canonical SMILES for (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one is NN/C(=C/C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one?
The InChIKey is XPGFEEJEPNZJKD-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)9(15-14)6-8(16)7-4-2-1-3-5-7/h1-6,15H,14H2/b9-6+.
What are the key properties of (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one?
(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one has a molecular weight of 230.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one is sourced from PubChem (CID 177436392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).