ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate

C10H16FNO3 — CID 58804101

IUPACethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate
SMILESCCOC(=O)OCC(F)=C1CCNCC1
InChIInChI=1S/C10H16FNO3/c1-2-14-10(13)15-7-9(11)8-3-5-12-6-4-8/h12H,2-7H2,1H3
InChIKeyYLIHYVLRLFAFQM-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.77
Rot. Bonds3

About ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate

ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate (PubChem CID 58804101) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate.

Molecular Properties

Compound Nameethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate
PubChem CID58804101
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Nameethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate
SMILESCCOC(=O)OCC(F)=C1CCNCC1
InChIInChI=1S/C10H16FNO3/c1-2-14-10(13)15-7-9(11)8-3-5-12-6-4-8/h12H,2-7H2,1H3
InChIKeyYLIHYVLRLFAFQM-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidin-4-ylidenepropyl 2,2,2-trifluoroacetate
CID 68523342
Ethyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 89206048
Ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate
CID 91601838
(2-Fluoro-2-piperidin-4-ylideneethyl) acetate
CID 170169422
4-(1-Fluoro-2-methoxyethylidene)piperidine
CID 178069082
Methyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 165889284
(2-Fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride
CID 170169421
Ethyl 2-fluoro-2-piperidin-4-ylideneacetate;hydron
CID 174218095

Frequently Asked Questions

What is the IUPAC name of ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate?
The IUPAC name of ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate (CID 58804101) is ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate.
What is the SMILES notation for ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate?
The canonical SMILES for ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate is CCOC(=O)OCC(F)=C1CCNCC1.
What is the InChIKey of ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate?
The InChIKey is YLIHYVLRLFAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-2-14-10(13)15-7-9(11)8-3-5-12-6-4-8/h12H,2-7H2,1H3.
What are the key properties of ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate?
ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate has a molecular weight of 217.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-fluoro-2-piperidin-4-ylideneethyl) carbonate is sourced from PubChem (CID 58804101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).