(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone

C13H16FNO2 — CID 116572516

IUPAC(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CNCC2C)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-15-7-10(8)13(16)9-3-4-12(17-2)11(14)5-9/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyUDSDVZBIXABUGC-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.87
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone

(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 116572516) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID116572516
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CNCC2C)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-15-7-10(8)13(16)9-3-4-12(17-2)11(14)5-9/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyUDSDVZBIXABUGC-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572555
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 66212567
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
3-fluoro-4-methoxybenzoate
CID 4251674
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549741
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572685

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone (CID 116572516) is (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone is COc1ccc(C(=O)C2CNCC2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is UDSDVZBIXABUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-6-15-7-10(8)13(16)9-3-4-12(17-2)11(14)5-9/h3-5,8,10,15H,6-7H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116572516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).