methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

C25H22FNO3 — CID 169202202

IUPACmethyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO3/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/h2-14,21-23,28H,15H2,1H3/t21-,22+,23-/m1/s1
InChIKeyZXNIUNLSNAJJDX-XPWALMASSA-N
MW403.45 g/mol
LogP3.52
Rot. Bonds3

About methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (PubChem CID 169202202) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
PubChem CID169202202
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Namemethyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO3/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/h2-14,21-23,28H,15H2,1H3/t21-,22+,23-/m1/s1
InChIKeyZXNIUNLSNAJJDX-XPWALMASSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (CID 169202202) is methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is ZXNIUNLSNAJJDX-XPWALMASSA-N. The full InChI is InChI=1S/C25H22FNO3/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/h2-14,21-23,28H,15H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 403.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4R)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 169202202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).