2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

C9H8F6O5 — CID 56952951

IUPAC2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESC=CC(=O)OCCOC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6O5/c1-2-5(16)19-3-4-20-6(17)7(18,8(10,11)12)9(13,14)15/h2,18H,1,3-4H2
InChIKeyIAAWBQNTLSHMJS-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.11
Rot. Bonds5

About 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (PubChem CID 56952951) has the molecular formula C9H8F6O5 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
PubChem CID56952951
Molecular FormulaC9H8F6O5
Molecular Weight310.15 g/mol
Exact Mass310.03
IUPAC Name2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESC=CC(=O)OCCOC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6O5/c1-2-5(16)19-3-4-20-6(17)7(18,8(10,11)12)9(13,14)15/h2,18H,1,3-4H2
InChIKeyIAAWBQNTLSHMJS-UHFFFAOYSA-N
XLogP1.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (CID 56952951) is 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is C=CC(=O)OCCOC(=O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The InChIKey is IAAWBQNTLSHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O5/c1-2-5(16)19-3-4-20-6(17)7(18,8(10,11)12)9(13,14)15/h2,18H,1,3-4H2.
What are the key properties of 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate has a molecular weight of 310.15 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 56952951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).