1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride

C13H17ClFNO3 — CID 119904523

IUPAC1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C13H16FNO3.ClH/c14-11-3-1-2-4-12(11)18-8-7-15-6-5-10(9-15)13(16)17;/h1-4,10H,5-9H2,(H,16,17);1H
InChIKeyIJMFZSMOXPWSEU-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride

1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 119904523) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID119904523
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C13H16FNO3.ClH/c14-11-3-1-2-4-12(11)18-8-7-15-6-5-10(9-15)13(16)17;/h1-4,10H,5-9H2,(H,16,17);1H
InChIKeyIJMFZSMOXPWSEU-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride (CID 119904523) is 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(CCOc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is IJMFZSMOXPWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3.ClH/c14-11-3-1-2-4-12(11)18-8-7-15-6-5-10(9-15)13(16)17;/h1-4,10H,5-9H2,(H,16,17);1H.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119904523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).