[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone

C18H18FNO — CID 50747104

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-15(7-5-13)18(21)20-12-2-3-17(20)14-8-10-16(19)11-9-14/h4-11,17H,2-3,12H2,1H3
InChIKeyJRGXJFUOCDXKQI-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.11
Rot. Bonds2

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 50747104) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID50747104
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-15(7-5-13)18(21)20-12-2-3-17(20)14-8-10-16(19)11-9-14/h4-11,17H,2-3,12H2,1H3
InChIKeyJRGXJFUOCDXKQI-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone (CID 50747104) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JRGXJFUOCDXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-4-6-15(7-5-13)18(21)20-12-2-3-17(20)14-8-10-16(19)11-9-14/h4-11,17H,2-3,12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 283.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 50747104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).