(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine

C11H20FNO2 — CID 135291777

IUPAC(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine
SMILESCCO[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C11H20FNO2/c1-2-15-11-3-5-13(7-10(11)12)9-4-6-14-8-9/h9-11H,2-8H2,1H3/t9?,10-,11+/m1/s1
InChIKeyJDYCASNGTHNYKC-ZOCYIJKUSA-N
MW217.28 g/mol
LogP1.22
Rot. Bonds3

About (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine

(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine (PubChem CID 135291777) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine
PubChem CID135291777
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine
SMILESCCO[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C11H20FNO2/c1-2-15-11-3-5-13(7-10(11)12)9-4-6-14-8-9/h9-11H,2-8H2,1H3/t9?,10-,11+/m1/s1
InChIKeyJDYCASNGTHNYKC-ZOCYIJKUSA-N
XLogP1.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The IUPAC name of (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine (CID 135291777) is (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine is CCO[C@H]1CCN(C2CCOC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The InChIKey is JDYCASNGTHNYKC-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-15-11-3-5-13(7-10(11)12)9-4-6-14-8-9/h9-11H,2-8H2,1H3/t9?,10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine?
(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine has a molecular weight of 217.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 135291777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).