2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate

C6H4ClF5O2 — CID 13051635

IUPAC2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4ClF5O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2
InChIKeyGEZVEZDEHWLOMF-UHFFFAOYSA-N
MW238.54 g/mol
LogP2.48
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate

2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate (PubChem CID 13051635) has the molecular formula C6H4ClF5O2 and a molecular weight of 238.54 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate
PubChem CID13051635
Molecular FormulaC6H4ClF5O2
Molecular Weight238.54 g/mol
Exact Mass237.98
IUPAC Name2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4ClF5O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2
InChIKeyGEZVEZDEHWLOMF-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 52.48
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 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate (CID 13051635) is 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate?
The InChIKey is GEZVEZDEHWLOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF5O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate?
2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate has a molecular weight of 238.54 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2-chloroprop-2-enoate is sourced from PubChem (CID 13051635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).