ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate

C11H15FO2 — CID 132559189

IUPACethyl 3-cyclohexylidene-2-fluoroprop-2-enoate
SMILESCCOC(=O)C(F)=C=C1CCCCC1
InChIInChI=1S/C11H15FO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h2-7H2,1H3
InChIKeyNVUUKJFHTYWAJK-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.89
Rot. Bonds2

About ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate

ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate (PubChem CID 132559189) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-cyclohexylidene-2-fluoroprop-2-enoate
PubChem CID132559189
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameethyl 3-cyclohexylidene-2-fluoroprop-2-enoate
SMILESCCOC(=O)C(F)=C=C1CCCCC1
InChIInChI=1S/C11H15FO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h2-7H2,1H3
InChIKeyNVUUKJFHTYWAJK-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.89
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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Related Compounds

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ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate?
The IUPAC name of ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate (CID 132559189) is ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate.
What is the SMILES notation for ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate?
The canonical SMILES for ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate is CCOC(=O)C(F)=C=C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate?
The InChIKey is NVUUKJFHTYWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h2-7H2,1H3.
What are the key properties of ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate?
ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate has a molecular weight of 198.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate is sourced from PubChem (CID 132559189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).