(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one

C19H14F2O — CID 6258020

IUPAC(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C/c2cccc(F)c2)CC/C1=C\c1cccc(F)c1
InChIInChI=1S/C19H14F2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
InChIKeyIFEQEPPBJWNCLN-KAVGSWPWSA-N
MW296.32 g/mol
LogP4.79
Rot. Bonds2

About (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one

(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one (PubChem CID 6258020) has the molecular formula C19H14F2O and a molecular weight of 296.32 g/mol. Its IUPAC name is (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one
PubChem CID6258020
Molecular FormulaC19H14F2O
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C/c2cccc(F)c2)CC/C1=C\c1cccc(F)c1
InChIInChI=1S/C19H14F2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
InChIKeyIFEQEPPBJWNCLN-KAVGSWPWSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one (CID 6258020) is (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one is O=C1/C(=C/c2cccc(F)c2)CC/C1=C\c1cccc(F)c1.
What is the InChIKey of (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one?
The InChIKey is IFEQEPPBJWNCLN-KAVGSWPWSA-N. The full InChI is InChI=1S/C19H14F2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+.
What are the key properties of (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one?
(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one has a molecular weight of 296.32 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 6258020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).