(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine

C8H16FNO — CID 168881150

IUPAC(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
SMILESCOC[C@@H]1[C@@H](F)C[C@@H](C)N1C
InChIInChI=1S/C8H16FNO/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyPFGZIMKYKWHLFR-GJMOJQLCSA-N
MW161.22 g/mol
LogP1.06
Rot. Bonds2

About (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine

(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine (PubChem CID 168881150) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
PubChem CID168881150
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
SMILESCOC[C@@H]1[C@@H](F)C[C@@H](C)N1C
InChIInChI=1S/C8H16FNO/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyPFGZIMKYKWHLFR-GJMOJQLCSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine?
The IUPAC name of (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine (CID 168881150) is (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine?
The canonical SMILES for (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine is COC[C@@H]1[C@@H](F)C[C@@H](C)N1C.
What is the InChIKey of (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine?
The InChIKey is PFGZIMKYKWHLFR-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine?
(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine is sourced from PubChem (CID 168881150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).