ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

C6H5F7O2 — CID 12738130

IUPACethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
SMILESCCOC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyUXPOTXZXGAMKLV-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.38
Rot. Bonds2

About ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate (PubChem CID 12738130) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
PubChem CID12738130
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Nameethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
SMILESCCOC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyUXPOTXZXGAMKLV-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The IUPAC name of ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate (CID 12738130) is ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate.
What is the SMILES notation for ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The canonical SMILES for ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate is CCOC(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The InChIKey is UXPOTXZXGAMKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,5(8,9)10)6(11,12)13/h2H2,1H3.
What are the key properties of ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate has a molecular weight of 242.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 12738130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).