2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol

C14H20FNO2 — CID 95719841

IUPAC2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c15-13-5-3-12(4-6-13)14-2-1-7-16(14)8-10-18-11-9-17/h3-6,14,17H,1-2,7-11H2/t14-/m0/s1
InChIKeyGBJTWVSUODMEFK-AWEZNQCLSA-N
MW253.32 g/mol
LogP1.97
Rot. Bonds6

About 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol

2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol (PubChem CID 95719841) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
PubChem CID95719841
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c15-13-5-3-12(4-6-13)14-2-1-7-16(14)8-10-18-11-9-17/h3-6,14,17H,1-2,7-11H2/t14-/m0/s1
InChIKeyGBJTWVSUODMEFK-AWEZNQCLSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
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
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol
CID 111462332
2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 95730431
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95048524
2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 24845455
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol (CID 95719841) is 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol is OCCOCCN1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol?
The InChIKey is GBJTWVSUODMEFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-13-5-3-12(4-6-13)14-2-1-7-16(14)8-10-18-11-9-17/h3-6,14,17H,1-2,7-11H2/t14-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol?
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 95719841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).