9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

C18H16FNO2 — CID 131895931

IUPAC9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1c2ccccc2-c2ccccc21)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C18H16FNO2/c19-15-9-20(10-16(15)21)18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,21H,9-10H2/t15-,16-/m1/s1
InChIKeyCFXHTXZTOZZADB-HZPDHXFCSA-N
MW297.33 g/mol
LogP2.34
Rot. Bonds1

About 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 131895931) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID131895931
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1c2ccccc2-c2ccccc21)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C18H16FNO2/c19-15-9-20(10-16(15)21)18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,21H,9-10H2/t15-,16-/m1/s1
InChIKeyCFXHTXZTOZZADB-HZPDHXFCSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (CID 131895931) is 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1c2ccccc2-c2ccccc21)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is CFXHTXZTOZZADB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-15-9-20(10-16(15)21)18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,21H,9-10H2/t15-,16-/m1/s1.
What are the key properties of 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 297.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 131895931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).