1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C16H22FNO2 — CID 115996621

IUPAC1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOCC1CCN(CC(C)C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-12(9-18-8-7-13(10-18)11-20-2)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyBUYMBTZUJWGDKL-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 115996621) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID115996621
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOCC1CCN(CC(C)C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-12(9-18-8-7-13(10-18)11-20-2)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyBUYMBTZUJWGDKL-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 115941070
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
2-fluoro-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107880844
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 115996621) is 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is COCC1CCN(CC(C)C(=O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BUYMBTZUJWGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(9-18-8-7-13(10-18)11-20-2)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 279.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 115996621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).