ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron

C9H15FNO2+ — CID 174218095

IUPACethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron
SMILESCCOC(=O)C(F)=C1CCNCC1.[H+]
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3/p+1
InChIKeyIGFVLPZEABQXNV-UHFFFAOYSA-O
MW188.22 g/mol
LogP1.27
Rot. Bonds2

About ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron

ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron (PubChem CID 174218095) has the molecular formula C9H15FNO2+ and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron.

Molecular Properties

Compound Nameethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron
PubChem CID174218095
Molecular FormulaC9H15FNO2+
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Nameethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron
SMILESCCOC(=O)C(F)=C1CCNCC1.[H+]
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3/p+1
InChIKeyIGFVLPZEABQXNV-UHFFFAOYSA-O
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate
CID 132559189
ethyl 2,3-difluorobut-2-enoate
CID 73190120
ethyl (2Z)-3-ethoxy-2-piperidin-3-ylidenepropanoate;hydrochloride
CID 141086335
CID 159370772
CID 159370772
diethyl 2-cyclopropylidenebutanedioate
CID 69133715
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
CID 175995571
CID 175995571
ethyl hydrogen carbonate;piperidine
CID 160926874
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
CID 117407560
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron?
The IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron (CID 174218095) is ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron.
What is the SMILES notation for ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron?
The canonical SMILES for ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron is CCOC(=O)C(F)=C1CCNCC1.[H+].
What is the InChIKey of ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron?
The InChIKey is IGFVLPZEABQXNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3/p+1.
What are the key properties of ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron?
ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron has a molecular weight of 188.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron is sourced from PubChem (CID 174218095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).