methyl 2-fluoro-2-phenylpropanoate

C10H11FO2 — CID 14200347

IUPACmethyl 2-fluoro-2-phenylpropanoate
SMILESCOC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-10(11,9(12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHAJSGGNCKPWNRY-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-fluoro-2-phenylpropanoate

methyl 2-fluoro-2-phenylpropanoate (PubChem CID 14200347) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is methyl 2-fluoro-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-phenylpropanoate
PubChem CID14200347
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-fluoro-2-phenylpropanoate
SMILESCOC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-10(11,9(12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHAJSGGNCKPWNRY-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-phenylpropanoate?
The IUPAC name of methyl 2-fluoro-2-phenylpropanoate (CID 14200347) is methyl 2-fluoro-2-phenylpropanoate.
What is the SMILES notation for methyl 2-fluoro-2-phenylpropanoate?
The canonical SMILES for methyl 2-fluoro-2-phenylpropanoate is COC(=O)C(C)(F)c1ccccc1.
What is the InChIKey of methyl 2-fluoro-2-phenylpropanoate?
The InChIKey is HAJSGGNCKPWNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-10(11,9(12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of methyl 2-fluoro-2-phenylpropanoate?
methyl 2-fluoro-2-phenylpropanoate has a molecular weight of 182.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-phenylpropanoate is sourced from PubChem (CID 14200347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).