ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate

C16H14F2O2 — CID 12585539

IUPACethyl 2,2-difluoro-2-(4-phenylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14F2O2/c1-2-20-15(19)16(17,18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyMOLYMHPFNGLCBJ-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.01
Rot. Bonds4

About ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate

ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate (PubChem CID 12585539) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(4-phenylphenyl)acetate
PubChem CID12585539
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Nameethyl 2,2-difluoro-2-(4-phenylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14F2O2/c1-2-20-15(19)16(17,18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyMOLYMHPFNGLCBJ-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Felbinac
CID 3332
Flurbiprofen
CID 3394
Esflurbiprofen
CID 72099
Phenethyl phenylacetate
CID 7601
Ethyl phenylacetate
CID 7590
Flurbiprofen Axetil
CID 3395
Phenethyl octanoate
CID 229888
Tarenflurbil
CID 92337
Hexyl phenylacetate
CID 221691
Butyl phenylacetate
CID 31210
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Flurbiprofen Sodium
CID 23684814

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate (CID 12585539) is ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate is CCOC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate?
The InChIKey is MOLYMHPFNGLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-20-15(19)16(17,18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate?
ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate has a molecular weight of 276.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate is sourced from PubChem (CID 12585539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).