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

C11H20FNO3 — CID 122554881

IUPAC(2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESCO[C@H]1[C@H](F)CN[C@H]1COC1CCCCO1
InChIInChI=1S/C11H20FNO3/c1-14-11-8(12)6-13-9(11)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11+/m1/s1
InChIKeyBUFGZEHDHUCGJW-BJMCWGGSSA-N
MW233.28 g/mol
LogP0.85
Rot. Bonds4

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

(2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine (PubChem CID 122554881) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
PubChem CID122554881
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESCO[C@H]1[C@H](F)CN[C@H]1COC1CCCCO1
InChIInChI=1S/C11H20FNO3/c1-14-11-8(12)6-13-9(11)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11+/m1/s1
InChIKeyBUFGZEHDHUCGJW-BJMCWGGSSA-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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Related Compounds

(2S,3S,4S)-3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine
CID 122554923
3-(Oxan-2-yloxy)pyrrolidine
CID 6487605
(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine
CID 11084629
N-ethyl-4,6-dimethoxyoxan-3-amine
CID 14683587
(R)-(3-Pyrrolidineoxy)tetrahydro-2H-pyran
CID 18392016
(3S)-3-(oxan-2-yloxy)pyrrolidine
CID 20640589
2-(Oxan-2-yloxymethyl)pyrrolidine
CID 22054597
2-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidine
CID 23519775
(S)-2-(Tetrahydro-pyran-2-yloxymethyl)-pyrrolidine
CID 45091361
3-[(2R)-oxan-2-yl]oxypyrrolidine
CID 55250651
(S)-(3-Pyrrolidineoxy)tetrahydro-2H-pyran
CID 56972048
[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol
CID 70919772

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine (CID 122554881) is (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine is CO[C@H]1[C@H](F)CN[C@H]1COC1CCCCO1.
What is the InChIKey of (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
The InChIKey is BUFGZEHDHUCGJW-BJMCWGGSSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-14-11-8(12)6-13-9(11)7-16-10-4-2-3-5-15-10/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11+/m1/s1.
What are the key properties of (2S,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine?
(2S,3R,4R)-4-fluoro-3-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,3R,4R)-4-fluoro-3-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 122554881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).