dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate

C19H19FO4 — CID 42600773

IUPACdimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C(c1ccccc1)c1ccccc1CF
InChIInChI=1S/C19H19FO4/c1-23-18(21)17(19(22)24-2)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-20/h3-11,16-17H,12H2,1-2H3
InChIKeyRUFVLLPMHUWNSA-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.25
Rot. Bonds6

About dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate

dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate (PubChem CID 42600773) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate
PubChem CID42600773
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Namedimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C(c1ccccc1)c1ccccc1CF
InChIInChI=1S/C19H19FO4/c1-23-18(21)17(19(22)24-2)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-20/h3-11,16-17H,12H2,1-2H3
InChIKeyRUFVLLPMHUWNSA-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
methyl 2-acetyl-3-phenylbutanoate
CID 12561390
methyl 2-[hydroxy(phenyl)methyl]-3-oxobutanoate
CID 102026591
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
dimethyl 2-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanedioate
CID 54735870
dimethyl 2-[(2-methoxy-4-oxofuran-3-yl)-phenylmethyl]propanedioate
CID 71605489
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate?
The IUPAC name of dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate (CID 42600773) is dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate?
The canonical SMILES for dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate is COC(=O)C(C(=O)OC)C(c1ccccc1)c1ccccc1CF.
What is the InChIKey of dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate?
The InChIKey is RUFVLLPMHUWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-23-18(21)17(19(22)24-2)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-20/h3-11,16-17H,12H2,1-2H3.
What are the key properties of dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate?
dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate has a molecular weight of 330.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate is sourced from PubChem (CID 42600773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).