(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate

C12H10F8O4 — CID 54347670

IUPAC(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H10F8O4/c1-4-6(21)23-8(24-7(22)5-2)10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2H2,3H3
InChIKeyUDKYUCSMIYESKQ-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.33
Rot. Bonds8

About (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate

(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate (PubChem CID 54347670) has the molecular formula C12H10F8O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate
PubChem CID54347670
Molecular FormulaC12H10F8O4
Molecular Weight370.19 g/mol
Exact Mass370.05
IUPAC Name(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H10F8O4/c1-4-6(21)23-8(24-7(22)5-2)10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2H2,3H3
InChIKeyUDKYUCSMIYESKQ-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1-acetyloxy-2,2,2-trifluoroethyl) prop-2-enoate
CID 19366626
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl prop-2-enoate
CID 21257919
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
CID 154160428
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-prop-2-enoyloxydecyl) prop-2-enoate
CID 87166349
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-yl prop-2-enoate
CID 175043248
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononyl prop-2-enoate
CID 22465163
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
(4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-methylheptan-3-yl) prop-2-enoate
CID 174212531
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
3,3,4,4-tetrafluorohexan-2-yl prop-2-enoate
CID 141398863

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate?
The IUPAC name of (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate (CID 54347670) is (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate.
What is the SMILES notation for (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate?
The canonical SMILES for (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate is C=CC(=O)OC(OC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate?
The InChIKey is UDKYUCSMIYESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O4/c1-4-6(21)23-8(24-7(22)5-2)10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2H2,3H3.
What are the key properties of (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate?
(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate has a molecular weight of 370.19 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate is sourced from PubChem (CID 54347670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).