prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate

C11H17F2NO3 — CID 167724607

IUPACprop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC(C(O)C(F)F)C1
InChIInChI=1S/C11H17F2NO3/c1-2-6-17-11(16)14-5-3-4-8(7-14)9(15)10(12)13/h2,8-10,15H,1,3-7H2
InChIKeyQSVGDMVZTWESIH-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.65
Rot. Bonds4

About prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate

prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 167724607) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID167724607
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Nameprop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC(C(O)C(F)F)C1
InChIInChI=1S/C11H17F2NO3/c1-2-6-17-11(16)14-5-3-4-8(7-14)9(15)10(12)13/h2,8-10,15H,1,3-7H2
InChIKeyQSVGDMVZTWESIH-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate (CID 167724607) is prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate is C=CCOC(=O)N1CCCC(C(O)C(F)F)C1.
What is the InChIKey of prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is QSVGDMVZTWESIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-2-6-17-11(16)14-5-3-4-8(7-14)9(15)10(12)13/h2,8-10,15H,1,3-7H2.
What are the key properties of prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate?
prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 249.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 167724607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).