ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate

C11H10F4O2 — CID 53405980

IUPACethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F4O2/c1-2-17-10(16)9(12)7-3-5-8(6-4-7)11(13,14)15/h3-6,9H,2H2,1H3
InChIKeyCCFXHVAQIWANKU-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.28
Rot. Bonds3

About ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate

ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 53405980) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID53405980
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Nameethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F4O2/c1-2-17-10(16)9(12)7-3-5-8(6-4-7)11(13,14)15/h3-6,9H,2H2,1H3
InChIKeyCCFXHVAQIWANKU-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate (CID 53405980) is ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is CCFXHVAQIWANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-2-17-10(16)9(12)7-3-5-8(6-4-7)11(13,14)15/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate?
ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 250.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 53405980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).