methyl 2-fluoro-2,2-diphenylacetate

C15H13FO2 — CID 13222568

IUPACmethyl 2-fluoro-2,2-diphenylacetate
SMILESCOC(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13FO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVEGXGSSVPREAMX-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-fluoro-2,2-diphenylacetate

methyl 2-fluoro-2,2-diphenylacetate (PubChem CID 13222568) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-fluoro-2,2-diphenylacetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2,2-diphenylacetate
PubChem CID13222568
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Namemethyl 2-fluoro-2,2-diphenylacetate
SMILESCOC(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13FO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVEGXGSSVPREAMX-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 134916444
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
methyl (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylbutanoate
CID 23234237
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate
CID 141174730
methyl 2-methylsulfinyl-2,2-diphenylacetate
CID 68803988
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
CID 149187727

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2,2-diphenylacetate?
The IUPAC name of methyl 2-fluoro-2,2-diphenylacetate (CID 13222568) is methyl 2-fluoro-2,2-diphenylacetate.
What is the SMILES notation for methyl 2-fluoro-2,2-diphenylacetate?
The canonical SMILES for methyl 2-fluoro-2,2-diphenylacetate is COC(=O)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-fluoro-2,2-diphenylacetate?
The InChIKey is VEGXGSSVPREAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl 2-fluoro-2,2-diphenylacetate?
methyl 2-fluoro-2,2-diphenylacetate has a molecular weight of 244.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2,2-diphenylacetate is sourced from PubChem (CID 13222568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).