methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate

C14H18FNO3 — CID 113224746

IUPACmethyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)11-6-7-16(10-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyMLTFTPXUXPBJSV-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.70
Rot. Bonds5

About methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate

methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate (PubChem CID 113224746) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
PubChem CID113224746
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)11-6-7-16(10-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyMLTFTPXUXPBJSV-UHFFFAOYSA-N
XLogP1.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
methyl 1-[2-(2,6-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731422
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate (CID 113224746) is methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(CCOc2ccccc2F)C1.
What is the InChIKey of methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate?
The InChIKey is MLTFTPXUXPBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)11-6-7-16(10-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3.
What are the key properties of methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 113224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).