(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone

C15H20FNO2 — CID 103397099

IUPAC(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(OC)cc2F)CCNC1
InChIInChI=1S/C15H20FNO2/c1-3-6-15(7-8-17-10-15)14(18)12-5-4-11(19-2)9-13(12)16/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyJLGFQBXMCQZNDZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.80
Rot. Bonds5

About (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone

(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 103397099) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID103397099
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(OC)cc2F)CCNC1
InChIInChI=1S/C15H20FNO2/c1-3-6-15(7-8-17-10-15)14(18)12-5-4-11(19-2)9-13(12)16/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyJLGFQBXMCQZNDZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone (CID 103397099) is (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)c2ccc(OC)cc2F)CCNC1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is JLGFQBXMCQZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-6-15(7-8-17-10-15)14(18)12-5-4-11(19-2)9-13(12)16/h4-5,9,17H,3,6-8,10H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 103397099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).