(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

C13H18FNO — CID 94616401

IUPAC(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-16-10-9-15-8-2-3-13(15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyZBGUJEWDMMBMMV-ZDUSSCGKSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 94616401) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID94616401
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-16-10-9-15-8-2-3-13(15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyZBGUJEWDMMBMMV-ZDUSSCGKSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
CID 95719841
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95048524
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (CID 94616401) is (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is ZBGUJEWDMMBMMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-10-9-15-8-2-3-13(15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 94616401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).