ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate

C19H20FNO2 — CID 134941635

IUPACethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-2-23-18(22)19(20)16(14-9-5-3-6-10-14)13-21-17(19)15-11-7-4-8-12-15/h3-12,16-17,21H,2,13H2,1H3/t16-,17+,19-/m0/s1
InChIKeyVHFANUJCQXMMKF-SCTDSRPQSA-N
MW313.37 g/mol
LogP3.39
Rot. Bonds4

About ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate

ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate (PubChem CID 134941635) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate
PubChem CID134941635
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Nameethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-2-23-18(22)19(20)16(14-9-5-3-6-10-14)13-21-17(19)15-11-7-4-8-12-15/h3-12,16-17,21H,2,13H2,1H3/t16-,17+,19-/m0/s1
InChIKeyVHFANUJCQXMMKF-SCTDSRPQSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate (CID 134941635) is ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate is CCOC(=O)[C@@]1(F)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate?
The InChIKey is VHFANUJCQXMMKF-SCTDSRPQSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-23-18(22)19(20)16(14-9-5-3-6-10-14)13-21-17(19)15-11-7-4-8-12-15/h3-12,16-17,21H,2,13H2,1H3/t16-,17+,19-/m0/s1.
What are the key properties of ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate?
ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate has a molecular weight of 313.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 134941635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).