2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate

C6H5ClF4O2 — CID 14344283

IUPAC2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H5ClF4O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
InChIKeyALKDHWSXYGTTNN-UHFFFAOYSA-N
MW220.55 g/mol
LogP2.18
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate

2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate (PubChem CID 14344283) has the molecular formula C6H5ClF4O2 and a molecular weight of 220.55 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate
PubChem CID14344283
Molecular FormulaC6H5ClF4O2
Molecular Weight220.55 g/mol
Exact Mass219.99
IUPAC Name2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H5ClF4O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
InChIKeyALKDHWSXYGTTNN-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.55
LogP ≤ 52.18
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-chloroprop-2-enoate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate (CID 14344283) is 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate?
The InChIKey is ALKDHWSXYGTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF4O2/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-chloroprop-2-enoate?
2,2,3,3-tetrafluoropropyl 2-chloroprop-2-enoate has a molecular weight of 220.55 g/mol, XLogP of 2.18, 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-chloroprop-2-enoate is sourced from PubChem (CID 14344283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).