methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate

C19H20FNO2 — CID 122228439

IUPACmethyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
SMILESCOC(=O)C(c1ccc(N2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-23-19(22)18(16-6-2-3-7-17(16)20)14-8-10-15(11-9-14)21-12-4-5-13-21/h2-3,6-11,18H,4-5,12-13H2,1H3
InChIKeyKYLNBLDKAXJENG-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate

methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate (PubChem CID 122228439) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
PubChem CID122228439
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
SMILESCOC(=O)C(c1ccc(N2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-23-19(22)18(16-6-2-3-7-17(16)20)14-8-10-15(11-9-14)21-12-4-5-13-21/h2-3,6-11,18H,4-5,12-13H2,1H3
InChIKeyKYLNBLDKAXJENG-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
CID 134954112
methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate
CID 130310615
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320152
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanoate
CID 171252016
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117244261
1-(2,6-difluorophenyl)-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 100715491
methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
CID 59200619

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate (CID 122228439) is methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate is COC(=O)C(c1ccc(N2CCCC2)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate?
The InChIKey is KYLNBLDKAXJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-23-19(22)18(16-6-2-3-7-17(16)20)14-8-10-15(11-9-14)21-12-4-5-13-21/h2-3,6-11,18H,4-5,12-13H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate?
methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate has a molecular weight of 313.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate is sourced from PubChem (CID 122228439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).