ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate

C9H14FNO2 — CID 122714181

IUPACethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCNCC1F
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)5-7-3-4-11-6-8(7)10/h5,8,11H,2-4,6H2,1H3/b7-5+
InChIKeyWXHCYTYDTLSRIT-FNORWQNLSA-N
MW187.21 g/mol
LogP0.81
Rot. Bonds2

About ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate

ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate (PubChem CID 122714181) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate
PubChem CID122714181
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCNCC1F
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)5-7-3-4-11-6-8(7)10/h5,8,11H,2-4,6H2,1H3/b7-5+
InChIKeyWXHCYTYDTLSRIT-FNORWQNLSA-N
XLogP0.81
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 ≤ 50.81
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

Ethyl2-fluoro-2-(piperidin-4-ylidene)acetatehydrochloride
CID 138040460
(Z)-Ethyl2-(piperidin-2-ylidene)acetate
CID 10374835
ethyl (2E)-2-piperidin-2-ylideneacetate
CID 11084298
2-Piperidin-4-ylidenepropyl 2,2,2-trifluoroacetate
CID 68523342
2-Piperidin-4-ylideneethyl 2,2,2-trifluoroacetate
CID 68525261
(2-Fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
CID 68690501
[(2E)-2-piperidin-3-ylideneacetyl] 2,2,2-trifluoroacetate
CID 87105327
Ethyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 89206048
(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]but-2-enoate
CID 138731953
ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
CID 143028213
methyl (2Z)-2-(3-fluoropiperidin-4-ylidene)acetate
CID 168150255
methyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate
CID 168150397

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate (CID 122714181) is ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate is CCOC(=O)/C=C1\CCNCC1F.
What is the InChIKey of ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate?
The InChIKey is WXHCYTYDTLSRIT-FNORWQNLSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)5-7-3-4-11-6-8(7)10/h5,8,11H,2-4,6H2,1H3/b7-5+.
What are the key properties of ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate?
ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate has a molecular weight of 187.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate is sourced from PubChem (CID 122714181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).