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

C24H13ClF4O3 — CID 11634001

IUPAC(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione
SMILESO=C1O/C(=C\c2cc(C(F)(F)F)ccc2Cl)C(=O)C1c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H13ClF4O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)17-8-6-14(11-19(17)26)13-4-2-1-3-5-13/h1-12,21H/b20-12-
InChIKeyGUHZAEQFOCHXAH-NDENLUEZSA-N
MW460.81 g/mol
LogP6.42
Rot. Bonds3

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

(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione (PubChem CID 11634001) has the molecular formula C24H13ClF4O3 and a molecular weight of 460.81 g/mol. Its IUPAC name is (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione
PubChem CID11634001
Molecular FormulaC24H13ClF4O3
Molecular Weight460.81 g/mol
Exact Mass460.05
IUPAC Name(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione
SMILESO=C1O/C(=C\c2cc(C(F)(F)F)ccc2Cl)C(=O)C1c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H13ClF4O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)17-8-6-14(11-19(17)26)13-4-2-1-3-5-13/h1-12,21H/b20-12-
InChIKeyGUHZAEQFOCHXAH-NDENLUEZSA-N
XLogP6.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.81
LogP ≤ 56.42
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'}

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Related Compounds

(5Z)-5-[[2-chloro-3-(trifluoromethyl)phenyl]methylidene]-3-(3-fluoro-4-phenylphenyl)oxolane-2,4-dione
CID 11554398
(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione
CID 11611610
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
4-[4-[(Z)-[3,5-dioxo-4-[4-(trifluoromethyl)phenyl]oxolan-2-ylidene]methyl]phenyl]benzonitrile
CID 11618900
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
(E)-3-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134621939
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
2-[(2-fluoronaphthalen-1-yl)methylidene]-5-methylimino-4-[3-(trifluoromethyl)phenyl]oxolan-3-one
CID 54501913
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione (CID 11634001) is (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione is O=C1O/C(=C\c2cc(C(F)(F)F)ccc2Cl)C(=O)C1c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione?
The InChIKey is GUHZAEQFOCHXAH-NDENLUEZSA-N. The full InChI is InChI=1S/C24H13ClF4O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)17-8-6-14(11-19(17)26)13-4-2-1-3-5-13/h1-12,21H/b20-12-.
What are the key properties of (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione?
(5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione has a molecular weight of 460.81 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-3-(2-fluoro-4-phenylphenyl)oxolane-2,4-dione is sourced from PubChem (CID 11634001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).