(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione

C24H14F4O3 — CID 11611610

IUPAC(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(=O)C1c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H14F4O3/c25-19-13-16(9-10-18(19)15-6-2-1-3-7-15)21-22(29)20(31-23(21)30)12-14-5-4-8-17(11-14)24(26,27)28/h1-13,21H/b20-12-
InChIKeyDTMGKBRYXQUMGR-NDENLUEZSA-N
MW426.37 g/mol
LogP5.76
Rot. Bonds3

About (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione

(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione (PubChem CID 11611610) has the molecular formula C24H14F4O3 and a molecular weight of 426.37 g/mol. Its IUPAC name is (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione
PubChem CID11611610
Molecular FormulaC24H14F4O3
Molecular Weight426.37 g/mol
Exact Mass426.09
IUPAC Name(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(=O)C1c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H14F4O3/c25-19-13-16(9-10-18(19)15-6-2-1-3-7-15)21-22(29)20(31-23(21)30)12-14-5-4-8-17(11-14)24(26,27)28/h1-13,21H/b20-12-
InChIKeyDTMGKBRYXQUMGR-NDENLUEZSA-N
XLogP5.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione 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

(5Z)-5-[[2-chloro-3-(trifluoromethyl)phenyl]methylidene]-3-(3-fluoro-4-phenylphenyl)oxolane-2,4-dione
CID 11554398
(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione
CID 11634001
4-[4-[(Z)-[3,5-dioxo-4-[4-(trifluoromethyl)phenyl]oxolan-2-ylidene]methyl]phenyl]benzonitrile
CID 11618900
2-[(2-fluoronaphthalen-1-yl)methylidene]-5-methylimino-4-[3-(trifluoromethyl)phenyl]oxolan-3-one
CID 54501913
(4E)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 121002509
2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 85256405
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
(2E)-5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one
CID 11759008
(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one
CID 24861990
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
CID 164599486
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
CID 134620317
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione?
The IUPAC name of (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione (CID 11611610) is (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione?
The canonical SMILES for (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione is O=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(=O)C1c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione?
The InChIKey is DTMGKBRYXQUMGR-NDENLUEZSA-N. The full InChI is InChI=1S/C24H14F4O3/c25-19-13-16(9-10-18(19)15-6-2-1-3-7-15)21-22(29)20(31-23(21)30)12-14-5-4-8-17(11-14)24(26,27)28/h1-13,21H/b20-12-.
What are the key properties of (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione?
(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione has a molecular weight of 426.37 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione is sourced from PubChem (CID 11611610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).