methyl 2-fluoro-3,3,3-triphenylpropanoate

C22H19FO2 — CID 10914613

IUPACmethyl 2-fluoro-3,3,3-triphenylpropanoate
SMILESCOC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FO2/c1-25-21(24)20(23)22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyILPYZMKCERYSJA-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.53
Rot. Bonds5

About methyl 2-fluoro-3,3,3-triphenylpropanoate

methyl 2-fluoro-3,3,3-triphenylpropanoate (PubChem CID 10914613) has the molecular formula C22H19FO2 and a molecular weight of 334.39 g/mol. Its IUPAC name is methyl 2-fluoro-3,3,3-triphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3,3,3-triphenylpropanoate
PubChem CID10914613
Molecular FormulaC22H19FO2
Molecular Weight334.39 g/mol
Exact Mass334.14
IUPAC Namemethyl 2-fluoro-3,3,3-triphenylpropanoate
SMILESCOC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FO2/c1-25-21(24)20(23)22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyILPYZMKCERYSJA-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3,3,3-triphenylpropanoate?
The IUPAC name of methyl 2-fluoro-3,3,3-triphenylpropanoate (CID 10914613) is methyl 2-fluoro-3,3,3-triphenylpropanoate.
What is the SMILES notation for methyl 2-fluoro-3,3,3-triphenylpropanoate?
The canonical SMILES for methyl 2-fluoro-3,3,3-triphenylpropanoate is COC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-fluoro-3,3,3-triphenylpropanoate?
The InChIKey is ILPYZMKCERYSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO2/c1-25-21(24)20(23)22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3.
What are the key properties of methyl 2-fluoro-3,3,3-triphenylpropanoate?
methyl 2-fluoro-3,3,3-triphenylpropanoate has a molecular weight of 334.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3,3,3-triphenylpropanoate is sourced from PubChem (CID 10914613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).