ethyl 2-cyclopentylidene-2-fluoroacetate

C9H13FO2 — CID 71337151

IUPACethyl 2-cyclopentylidene-2-fluoroacetate
SMILESCCOC(=O)C(F)=C1CCCC1
InChIInChI=1S/C9H13FO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h2-6H2,1H3
InChIKeyRJFPFUUNAXBMAQ-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.35
Rot. Bonds2

About ethyl 2-cyclopentylidene-2-fluoroacetate

ethyl 2-cyclopentylidene-2-fluoroacetate (PubChem CID 71337151) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is ethyl 2-cyclopentylidene-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-cyclopentylidene-2-fluoroacetate
PubChem CID71337151
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Nameethyl 2-cyclopentylidene-2-fluoroacetate
SMILESCCOC(=O)C(F)=C1CCCC1
InChIInChI=1S/C9H13FO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h2-6H2,1H3
InChIKeyRJFPFUUNAXBMAQ-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.35
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 ethyl 2-cyclopentylidene-2-fluoroacetate?
The IUPAC name of ethyl 2-cyclopentylidene-2-fluoroacetate (CID 71337151) is ethyl 2-cyclopentylidene-2-fluoroacetate.
What is the SMILES notation for ethyl 2-cyclopentylidene-2-fluoroacetate?
The canonical SMILES for ethyl 2-cyclopentylidene-2-fluoroacetate is CCOC(=O)C(F)=C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentylidene-2-fluoroacetate?
The InChIKey is RJFPFUUNAXBMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h2-6H2,1H3.
What are the key properties of ethyl 2-cyclopentylidene-2-fluoroacetate?
ethyl 2-cyclopentylidene-2-fluoroacetate has a molecular weight of 172.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentylidene-2-fluoroacetate is sourced from PubChem (CID 71337151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).