(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate

C11H13F3O4 — CID 89335761

IUPAC(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate
SMILESC=CC(=O)OCC(CC(F)(F)CF)OC(=O)C=C
InChIInChI=1S/C11H13F3O4/c1-3-9(15)17-6-8(18-10(16)4-2)5-11(13,14)7-12/h3-4,8H,1-2,5-7H2
InChIKeyMCWUWFIWYWXCPC-UHFFFAOYSA-N
MW266.21 g/mol
LogP1.81
Rot. Bonds8

About (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate

(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate (PubChem CID 89335761) has the molecular formula C11H13F3O4 and a molecular weight of 266.21 g/mol. Its IUPAC name is (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate.

Molecular Properties

Compound Name(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate
PubChem CID89335761
Molecular FormulaC11H13F3O4
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate
SMILESC=CC(=O)OCC(CC(F)(F)CF)OC(=O)C=C
InChIInChI=1S/C11H13F3O4/c1-3-9(15)17-6-8(18-10(16)4-2)5-11(13,14)7-12/h3-4,8H,1-2,5-7H2
InChIKeyMCWUWFIWYWXCPC-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-formyloxy-2,11-di(prop-2-enoyloxy)dodecyl] prop-2-enoate
CID 20668050
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
[2-prop-2-enoyloxy-4-(2,2,2-trifluoroethylamino)butyl] prop-2-enoate
CID 146374385
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
(4,4,5,5-tetrafluoro-2,8-dihydroxy-7-prop-2-enoyloxyoctyl) prop-2-enoate
CID 20668065
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
(2-prop-2-enoyloxy-6-sulfanylidenehexyl) prop-2-enoate
CID 18431296
(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-2,12-dihydroxy-11-prop-2-enoyloxydodecyl) prop-2-enoate
CID 20668058
2,3-di(propanoyloxy)propyl propanoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate
CID 160690637
(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
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901

Frequently Asked Questions

What is the IUPAC name of (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate?
The IUPAC name of (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate (CID 89335761) is (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate.
What is the SMILES notation for (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate?
The canonical SMILES for (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate is C=CC(=O)OCC(CC(F)(F)CF)OC(=O)C=C.
What is the InChIKey of (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate?
The InChIKey is MCWUWFIWYWXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O4/c1-3-9(15)17-6-8(18-10(16)4-2)5-11(13,14)7-12/h3-4,8H,1-2,5-7H2.
What are the key properties of (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate?
(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate has a molecular weight of 266.21 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate is sourced from PubChem (CID 89335761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).