ethyl 2-(2-fluoropiperidin-4-ylidene)acetate

C9H14FNO2 — CID 175401719

IUPACethyl 2-(2-fluoropiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCNC(F)C1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h6,8,11H,2-5H2,1H3
InChIKeyUOTHZBAPUKGYRA-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.15
Rot. Bonds2

About ethyl 2-(2-fluoropiperidin-4-ylidene)acetate

ethyl 2-(2-fluoropiperidin-4-ylidene)acetate (PubChem CID 175401719) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethyl 2-(2-fluoropiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoropiperidin-4-ylidene)acetate
PubChem CID175401719
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethyl 2-(2-fluoropiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCNC(F)C1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h6,8,11H,2-5H2,1H3
InChIKeyUOTHZBAPUKGYRA-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoropiperidin-4-ylidene)acetate?
The IUPAC name of ethyl 2-(2-fluoropiperidin-4-ylidene)acetate (CID 175401719) is ethyl 2-(2-fluoropiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl 2-(2-fluoropiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl 2-(2-fluoropiperidin-4-ylidene)acetate is CCOC(=O)C=C1CCNC(F)C1.
What is the InChIKey of ethyl 2-(2-fluoropiperidin-4-ylidene)acetate?
The InChIKey is UOTHZBAPUKGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h6,8,11H,2-5H2,1H3.
What are the key properties of ethyl 2-(2-fluoropiperidin-4-ylidene)acetate?
ethyl 2-(2-fluoropiperidin-4-ylidene)acetate has a molecular weight of 187.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoropiperidin-4-ylidene)acetate is sourced from PubChem (CID 175401719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).