(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one

C11H8F4O2 — CID 10634262

IUPAC(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one
SMILESCO/C(=C\C(=O)C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H8F4O2/c1-17-9(6-10(16)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
InChIKeyRBFMCYITFNIHNH-TWGQIWQCSA-N
MW248.18 g/mol
LogP2.94
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one

(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one (PubChem CID 10634262) has the molecular formula C11H8F4O2 and a molecular weight of 248.18 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one
PubChem CID10634262
Molecular FormulaC11H8F4O2
Molecular Weight248.18 g/mol
Exact Mass248.05
IUPAC Name(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one
SMILESCO/C(=C\C(=O)C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H8F4O2/c1-17-9(6-10(16)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
InChIKeyRBFMCYITFNIHNH-TWGQIWQCSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dracorhodin
CID 69509
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
3-Benzyloxy-2-methyl-4-pyrone
CID 1490119
5-Methoxy-2-phenyl-7H-1-benzopyran-7-one
CID 610735
3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
CID 1479277
4,4,5,5-Tetrafluoro-3-hydroxy-1-phenyl-2-penten-1-one
CID 5655257
4-Methoxy-6-phenylpyran-2-one
CID 249888
Benzyl 3,3-difluoroprop-2-enoate
CID 56932637
5,6-Dimethyl-4-phenylmethoxypyran-2-one
CID 44601727
5-Phenylfuran-3(2H)-one
CID 78874
2,2-Dimethyl-5-[4-(trifluoromethyl)phenyl]furan-3-one
CID 15175266
1-Fluoro-2-(methoxymethyl)benzene
CID 10351781

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one (CID 10634262) is (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one is CO/C(=C\C(=O)C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one?
The InChIKey is RBFMCYITFNIHNH-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H8F4O2/c1-17-9(6-10(16)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one has a molecular weight of 248.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one is sourced from PubChem (CID 10634262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).