(2-fluoro-2-piperidin-4-ylideneethyl) acetate

C9H14FNO2 — CID 170169422

IUPAC(2-fluoro-2-piperidin-4-ylideneethyl) acetate
SMILESCC(=O)OCC(F)=C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-7(12)13-6-9(10)8-2-4-11-5-3-8/h11H,2-6H2,1H3
InChIKeyGKSZMMQWEQYDNU-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.16
Rot. Bonds2

About (2-fluoro-2-piperidin-4-ylideneethyl) acetate

(2-fluoro-2-piperidin-4-ylideneethyl) acetate (PubChem CID 170169422) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (2-fluoro-2-piperidin-4-ylideneethyl) acetate.

Molecular Properties

Compound Name(2-fluoro-2-piperidin-4-ylideneethyl) acetate
PubChem CID170169422
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(2-fluoro-2-piperidin-4-ylideneethyl) acetate
SMILESCC(=O)OCC(F)=C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-7(12)13-6-9(10)8-2-4-11-5-3-8/h11H,2-6H2,1H3
InChIKeyGKSZMMQWEQYDNU-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-piperidin-4-ylideneethyl) acetate?
The IUPAC name of (2-fluoro-2-piperidin-4-ylideneethyl) acetate (CID 170169422) is (2-fluoro-2-piperidin-4-ylideneethyl) acetate.
What is the SMILES notation for (2-fluoro-2-piperidin-4-ylideneethyl) acetate?
The canonical SMILES for (2-fluoro-2-piperidin-4-ylideneethyl) acetate is CC(=O)OCC(F)=C1CCNCC1.
What is the InChIKey of (2-fluoro-2-piperidin-4-ylideneethyl) acetate?
The InChIKey is GKSZMMQWEQYDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(12)13-6-9(10)8-2-4-11-5-3-8/h11H,2-6H2,1H3.
What are the key properties of (2-fluoro-2-piperidin-4-ylideneethyl) acetate?
(2-fluoro-2-piperidin-4-ylideneethyl) acetate has a molecular weight of 187.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-piperidin-4-ylideneethyl) acetate is sourced from PubChem (CID 170169422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).