ethyl 2-cyclohexylidene-2-fluoroacetate

C10H15FO2 — CID 12705935

IUPACethyl 2-cyclohexylidene-2-fluoroacetate
SMILESCCOC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C10H15FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyVDXJZTLYXSLPTP-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.74
Rot. Bonds2

About ethyl 2-cyclohexylidene-2-fluoroacetate

ethyl 2-cyclohexylidene-2-fluoroacetate (PubChem CID 12705935) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl 2-cyclohexylidene-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexylidene-2-fluoroacetate
PubChem CID12705935
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethyl 2-cyclohexylidene-2-fluoroacetate
SMILESCCOC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C10H15FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyVDXJZTLYXSLPTP-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.74
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-cyclohexylidene-2-fluoroacetate?
The IUPAC name of ethyl 2-cyclohexylidene-2-fluoroacetate (CID 12705935) is ethyl 2-cyclohexylidene-2-fluoroacetate.
What is the SMILES notation for ethyl 2-cyclohexylidene-2-fluoroacetate?
The canonical SMILES for ethyl 2-cyclohexylidene-2-fluoroacetate is CCOC(=O)C(F)=C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexylidene-2-fluoroacetate?
The InChIKey is VDXJZTLYXSLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of ethyl 2-cyclohexylidene-2-fluoroacetate?
ethyl 2-cyclohexylidene-2-fluoroacetate has a molecular weight of 186.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylidene-2-fluoroacetate is sourced from PubChem (CID 12705935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).