(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one

C8H7FO2 — CID 171547592

IUPAC(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one
SMILESC=C(F)/C=C1/OCC(=O)C1=C
InChIInChI=1S/C8H7FO2/c1-5(9)3-8-6(2)7(10)4-11-8/h3H,1-2,4H2/b8-3+
InChIKeyFIGQCPNVCBNWHR-FPYGCLRLSA-N
MW154.14 g/mol
LogP1.51
Rot. Bonds1

About (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one

(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one (PubChem CID 171547592) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one.

Molecular Properties

Compound Name(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one
PubChem CID171547592
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one
SMILESC=C(F)/C=C1/OCC(=O)C1=C
InChIInChI=1S/C8H7FO2/c1-5(9)3-8-6(2)7(10)4-11-8/h3H,1-2,4H2/b8-3+
InChIKeyFIGQCPNVCBNWHR-FPYGCLRLSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one?
The IUPAC name of (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one (CID 171547592) is (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one.
What is the SMILES notation for (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one?
The canonical SMILES for (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one is C=C(F)/C=C1/OCC(=O)C1=C.
What is the InChIKey of (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one?
The InChIKey is FIGQCPNVCBNWHR-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H7FO2/c1-5(9)3-8-6(2)7(10)4-11-8/h3H,1-2,4H2/b8-3+.
What are the key properties of (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one?
(5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one has a molecular weight of 154.14 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2-fluoroprop-2-enylidene)-4-methylideneoxolan-3-one is sourced from PubChem (CID 171547592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).