2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone

C18H18FNO — CID 119106334

IUPAC2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO/c19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14/h1-9,16H,10-13H2
InChIKeyOVQXODRNAKHRKI-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.38
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone

2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 119106334) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID119106334
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO/c19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14/h1-9,16H,10-13H2
InChIKeyOVQXODRNAKHRKI-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 119106334) is 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone is O=C(Cc1ccccc1F)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is OVQXODRNAKHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14/h1-9,16H,10-13H2.
What are the key properties of 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 283.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 119106334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).