1,1,2,3,3,3-hexafluoropropyl prop-2-enoate

C6H4F6O2 — CID 21470424

IUPAC1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H4F6O2/c1-2-3(13)14-6(11,12)4(7)5(8,9)10/h2,4H,1H2
InChIKeyOZHBWPKKZHHFKN-UHFFFAOYSA-N
MW222.08 g/mol
LogP2.21
Rot. Bonds3

About 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate

1,1,2,3,3,3-hexafluoropropyl prop-2-enoate (PubChem CID 21470424) has the molecular formula C6H4F6O2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
PubChem CID21470424
Molecular FormulaC6H4F6O2
Molecular Weight222.08 g/mol
Exact Mass222.01
IUPAC Name1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H4F6O2/c1-2-3(13)14-6(11,12)4(7)5(8,9)10/h2,4H,1H2
InChIKeyOZHBWPKKZHHFKN-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl prop-2-enoate
CID 21087786
trifluoromethyl prop-2-enoate
CID 10197737
1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane
CID 20802177
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl prop-2-enoate
CID 91461694
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluorododecyl prop-2-enoate
CID 87290750
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl prop-2-enoate
CID 18679053
1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
CID 174271151
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
CID 175090999
tert-butyl prop-2-enoate
CID 158231977

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate?
The IUPAC name of 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate (CID 21470424) is 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate?
The canonical SMILES for 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate is C=CC(=O)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate?
The InChIKey is OZHBWPKKZHHFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O2/c1-2-3(13)14-6(11,12)4(7)5(8,9)10/h2,4H,1H2.
What are the key properties of 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate?
1,1,2,3,3,3-hexafluoropropyl prop-2-enoate has a molecular weight of 222.08 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoropropyl prop-2-enoate is sourced from PubChem (CID 21470424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).