ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate

C11H18FNO3 — CID 91601838

IUPACethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate
SMILESCCOC(=O)OCC(F)=C1CCN(C)CC1
InChIInChI=1S/C11H18FNO3/c1-3-15-11(14)16-8-10(12)9-4-6-13(2)7-5-9/h3-8H2,1-2H3
InChIKeyKCVWGRDDSCWTJM-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.11
Rot. Bonds3

About ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate

ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate (PubChem CID 91601838) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate.

Molecular Properties

Compound Nameethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate
PubChem CID91601838
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nameethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate
SMILESCCOC(=O)OCC(F)=C1CCN(C)CC1
InChIInChI=1S/C11H18FNO3/c1-3-15-11(14)16-8-10(12)9-4-6-13(2)7-5-9/h3-8H2,1-2H3
InChIKeyKCVWGRDDSCWTJM-UHFFFAOYSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate?
The IUPAC name of ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate (CID 91601838) is ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate.
What is the SMILES notation for ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate?
The canonical SMILES for ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate is CCOC(=O)OCC(F)=C1CCN(C)CC1.
What is the InChIKey of ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate?
The InChIKey is KCVWGRDDSCWTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-3-15-11(14)16-8-10(12)9-4-6-13(2)7-5-9/h3-8H2,1-2H3.
What are the key properties of ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate?
ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate has a molecular weight of 231.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-fluoro-2-(1-methylpiperidin-4-ylidene)ethyl] carbonate is sourced from PubChem (CID 91601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).