(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine

C11H20FNO3 — CID 122554923

IUPAC(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESCO[C@H]1CN[C@@H](COC2CCCCO2)[C@@H]1F
InChIInChI=1S/C11H20FNO3/c1-14-9-6-13-8(11(9)12)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9-,10?,11-/m0/s1
InChIKeyCZGCJSDIHFOODU-VKRYWUJJSA-N
MW233.28 g/mol
LogP0.85
Rot. Bonds4

About (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine

(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine (PubChem CID 122554923) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
PubChem CID122554923
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESCO[C@H]1CN[C@@H](COC2CCCCO2)[C@@H]1F
InChIInChI=1S/C11H20FNO3/c1-14-9-6-13-8(11(9)12)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9-,10?,11-/m0/s1
InChIKeyCZGCJSDIHFOODU-VKRYWUJJSA-N
XLogP0.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine (CID 122554923) is (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine is CO[C@H]1CN[C@@H](COC2CCCCO2)[C@@H]1F.
What is the InChIKey of (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The InChIKey is CZGCJSDIHFOODU-VKRYWUJJSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-14-9-6-13-8(11(9)12)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9-,10?,11-/m0/s1.
What are the key properties of (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine has a molecular weight of 233.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 122554923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).