methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

C25H22FNO2 — CID 134358900

IUPACmethyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](F)CCN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO2/c1-29-24(28)23-22(26)15-16-27(23)25(17-9-3-2-4-10-17)20-13-7-5-11-18(20)19-12-6-8-14-21(19)25/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyLIISGUKBWCGFMA-PKTZIBPZSA-N
MW387.45 g/mol
LogP4.54
Rot. Bonds3

About methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (PubChem CID 134358900) has the molecular formula C25H22FNO2 and a molecular weight of 387.45 g/mol. Its IUPAC name is methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
PubChem CID134358900
Molecular FormulaC25H22FNO2
Molecular Weight387.45 g/mol
Exact Mass387.16
IUPAC Namemethyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](F)CCN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO2/c1-29-24(28)23-22(26)15-16-27(23)25(17-9-3-2-4-10-17)20-13-7-5-11-18(20)19-12-6-8-14-21(19)25/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyLIISGUKBWCGFMA-PKTZIBPZSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (CID 134358900) is methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1[C@H](F)CCN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is LIISGUKBWCGFMA-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H22FNO2/c1-29-24(28)23-22(26)15-16-27(23)25(17-9-3-2-4-10-17)20-13-7-5-11-18(20)19-12-6-8-14-21(19)25/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1.
What are the key properties of methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 387.45 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 134358900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).