(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one

C19H13F3O3 — CID 10450301

IUPAC(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one
SMILESC=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C19H13F3O3/c1-2-9-24-14-7-8-15-16(11-14)25-17(18(15)23)10-12-3-5-13(6-4-12)19(20,21)22/h2-8,10-11H,1,9H2/b17-10-
InChIKeySBCNYGWDZCNNKM-YVLHZVERSA-N
MW346.30 g/mol
LogP4.89
Rot. Bonds4

About (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one

(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one (PubChem CID 10450301) has the molecular formula C19H13F3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one
PubChem CID10450301
Molecular FormulaC19H13F3O3
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one
SMILESC=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C19H13F3O3/c1-2-9-24-14-7-8-15-16(11-14)25-17(18(15)23)10-12-3-5-13(6-4-12)19(20,21)22/h2-8,10-11H,1,9H2/b17-10-
InChIKeySBCNYGWDZCNNKM-YVLHZVERSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one (CID 10450301) is (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one is C=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one?
The InChIKey is SBCNYGWDZCNNKM-YVLHZVERSA-N. The full InChI is InChI=1S/C19H13F3O3/c1-2-9-24-14-7-8-15-16(11-14)25-17(18(15)23)10-12-3-5-13(6-4-12)19(20,21)22/h2-8,10-11H,1,9H2/b17-10-.
What are the key properties of (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one?
(2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one has a molecular weight of 346.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-prop-2-enoxy-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 10450301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).