(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine

C14H20FNO — CID 145126320

IUPAC(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(6-7-17-2)10-14(11)12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyBAQVKGRBNOLRQA-BXUZGUMPSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds4

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

(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (PubChem CID 145126320) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
PubChem CID145126320
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(6-7-17-2)10-14(11)12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyBAQVKGRBNOLRQA-BXUZGUMPSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The IUPAC name of (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (CID 145126320) is (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The canonical SMILES for (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is COCCN1C[C@@H](C)[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The InChIKey is BAQVKGRBNOLRQA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-9-16(6-7-17-2)10-14(11)12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is sourced from PubChem (CID 145126320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).