ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate

C13H16FNO2 — CID 131868991

IUPACethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C13H16FNO2/c1-2-17-13(16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyLWOOFZWQLXTMLV-VXGBXAGGSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds3

About ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate

ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate (PubChem CID 131868991) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
PubChem CID131868991
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Nameethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C13H16FNO2/c1-2-17-13(16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyLWOOFZWQLXTMLV-VXGBXAGGSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
ethyl (2S,5R)-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate
CID 10776114
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 5-[3-(5-propanoyloxypyrrolidin-2-yl)phenyl]pyrrolidine-2-carboxylate
CID 20741943
ethyl (4S,5S)-4-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 101256670
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl 4-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-2-carboxylate
CID 73057868
(2S,5S)-2-ethyl-5-(4-fluorophenyl)pyrrolidine
CID 146633643
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
CID 66658187

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate (CID 131868991) is ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate?
The InChIKey is LWOOFZWQLXTMLV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-17-13(16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate?
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 131868991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).