2-fluoroethyl 2,2-diphenylacetate

C16H15FO2 — CID 20233

IUPAC2-fluoroethyl 2,2-diphenylacetate
SMILESO=C(OCCF)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2/c17-11-12-19-16(18)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMVNYQVCSSLUAPE-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.33
Rot. Bonds5

About 2-fluoroethyl 2,2-diphenylacetate

2-fluoroethyl 2,2-diphenylacetate (PubChem CID 20233) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-fluoroethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-fluoroethyl 2,2-diphenylacetate
PubChem CID20233
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-fluoroethyl 2,2-diphenylacetate
SMILESO=C(OCCF)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2/c17-11-12-19-16(18)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMVNYQVCSSLUAPE-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2,2-diphenylacetate?
The IUPAC name of 2-fluoroethyl 2,2-diphenylacetate (CID 20233) is 2-fluoroethyl 2,2-diphenylacetate.
What is the SMILES notation for 2-fluoroethyl 2,2-diphenylacetate?
The canonical SMILES for 2-fluoroethyl 2,2-diphenylacetate is O=C(OCCF)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethyl 2,2-diphenylacetate?
The InChIKey is MVNYQVCSSLUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c17-11-12-19-16(18)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 2-fluoroethyl 2,2-diphenylacetate?
2-fluoroethyl 2,2-diphenylacetate has a molecular weight of 258.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2,2-diphenylacetate is sourced from PubChem (CID 20233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).