methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

C25H20FNO3 — CID 134358897

IUPACmethyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1C(F)C(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20FNO3/c1-30-24(29)23-22(26)21(28)15-27(23)25(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)25/h2-14,22-23H,15H2,1H3
InChIKeyWFNLLBBBNVMBGF-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.72
Rot. Bonds3

About methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (PubChem CID 134358897) has the molecular formula C25H20FNO3 and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
PubChem CID134358897
Molecular FormulaC25H20FNO3
Molecular Weight401.44 g/mol
Exact Mass401.14
IUPAC Namemethyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1C(F)C(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20FNO3/c1-30-24(29)23-22(26)21(28)15-27(23)25(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)25/h2-14,22-23H,15H2,1H3
InChIKeyWFNLLBBBNVMBGF-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 139427147
(S)-Methyl 1-tritylpyrrolidine-2-carboxylate
CID 11337721
methyl (2S,4S)-4-fluoro-1-tritylpyrrolidine-2-carboxylate
CID 135012665
AG-E-10488
CID 11811064
tert-butyl (2S)-5-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 387653
Tert-butyl 5-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 496186
2,2-difluoro-N,N-dimethyl-3-[(4R)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide
CID 10863520
(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
CID 134349044
(2R,3S,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
CID 134349948
(2R,3S,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
CID 134349952
methyl (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 134358896
methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 134358900

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (CID 134358897) is methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is COC(=O)C1C(F)C(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is WFNLLBBBNVMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO3/c1-30-24(29)23-22(26)21(28)15-27(23)25(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)25/h2-14,22-23H,15H2,1H3.
What are the key properties of methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 134358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).