(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H18FNO2 — CID 50969516

IUPAC(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(C)cc2F)C1
InChIInChI=1S/C14H18FNO2/c1-10-3-4-12(13(15)7-10)14(17)16-6-5-11(8-16)9-18-2/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyIOMJDJIEXCGWKM-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.24
Rot. Bonds3

About (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 50969516) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID50969516
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(C)cc2F)C1
InChIInChI=1S/C14H18FNO2/c1-10-3-4-12(13(15)7-10)14(17)16-6-5-11(8-16)9-18-2/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyIOMJDJIEXCGWKM-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 50969516) is (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2ccc(C)cc2F)C1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IOMJDJIEXCGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-3-4-12(13(15)7-10)14(17)16-6-5-11(8-16)9-18-2/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 251.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50969516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).