2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate

C6H5F5O2 — CID 2782529

IUPAC2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
InChIKeyOOPSTBSKXWPLKJ-UHFFFAOYSA-N
MW204.09 g/mol
LogP1.91
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate

2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate (PubChem CID 2782529) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate
PubChem CID2782529
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
InChIKeyOOPSTBSKXWPLKJ-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate (CID 2782529) is 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate?
The InChIKey is OOPSTBSKXWPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate?
2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate has a molecular weight of 204.09 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 2782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).