(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine

C8H16FNO — CID 178006361

IUPAC(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1C[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C8H16FNO/c1-7-5-10(3-4-11-2)6-8(7)9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyFYTGYDHEYNNEFT-SFYZADRCSA-N
MW161.22 g/mol
LogP0.92
Rot. Bonds3

About (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine

(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine (PubChem CID 178006361) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine
PubChem CID178006361
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1C[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C8H16FNO/c1-7-5-10(3-4-11-2)6-8(7)9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyFYTGYDHEYNNEFT-SFYZADRCSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine?
The IUPAC name of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine (CID 178006361) is (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine?
The canonical SMILES for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine is COCCN1C[C@@H](C)[C@@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine?
The InChIKey is FYTGYDHEYNNEFT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7-5-10(3-4-11-2)6-8(7)9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine?
(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpyrrolidine is sourced from PubChem (CID 178006361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).