ethyl 4-fluoropyrrolidine-2-carboxylate

C7H12FNO2 — CID 22294109

IUPACethyl 4-fluoropyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(F)CN1
InChIInChI=1S/C7H12FNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyYRDIYVDGPRPFPX-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds2

About ethyl 4-fluoropyrrolidine-2-carboxylate

ethyl 4-fluoropyrrolidine-2-carboxylate (PubChem CID 22294109) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is ethyl 4-fluoropyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoropyrrolidine-2-carboxylate
PubChem CID22294109
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Nameethyl 4-fluoropyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(F)CN1
InChIInChI=1S/C7H12FNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyYRDIYVDGPRPFPX-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-pyrrolidinium-2-carboxylate
CID 6971047
Ethyl 5-oxo-L-prolinate
CID 2724446
(2R)-pyrrolidinium-2-carboxylate
CID 6971012
Monomethyl proline
CID 6951137
Methyl DL-prolinate
CID 94239
5-Oxoproline ethyl ester
CID 98047
(4R)-4-Fluoro-L-proline
CID 11902999
ethyl (2R)-5-oxopyrrolidine-2-carboxylate
CID 643508
Methyl D-prolinate
CID 853476
L-Proline, 4-fluoro-, cis-
CID 10057550
L-Proline, ethyl ester
CID 79888
Ethyl pyrrolidine-2-carboxylate
CID 550673

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoropyrrolidine-2-carboxylate?
The IUPAC name of ethyl 4-fluoropyrrolidine-2-carboxylate (CID 22294109) is ethyl 4-fluoropyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoropyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 4-fluoropyrrolidine-2-carboxylate is CCOC(=O)C1CC(F)CN1.
What is the InChIKey of ethyl 4-fluoropyrrolidine-2-carboxylate?
The InChIKey is YRDIYVDGPRPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3.
What are the key properties of ethyl 4-fluoropyrrolidine-2-carboxylate?
ethyl 4-fluoropyrrolidine-2-carboxylate has a molecular weight of 161.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoropyrrolidine-2-carboxylate is sourced from PubChem (CID 22294109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).