2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate

C30H29F19O12 — CID 91362069

IUPAC2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)CF.C=CC(=O)OCC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.C=CC(=O)OCC(F)(OF)C(F)(F)F.C=CC(=O)OCCCOC(=O)C=C
InChIInChI=1S/C9H12O4.C8H5F9O3.C7H7F5O2.C6H5F5O3/c1-3-8(10)12-6-5-7-13-9(11)4-2;1-2-4(18)19-3-5(9,6(10,11)12)20-8(16,17)7(13,14)15;1-2-5(13)14-4-7(11,12)6(9,10)3-8;1-2-4(12)13-3-5(7,14-11)6(8,9)10/h3-4H,1-2,5-7H2;2H,1,3H2;2H,1,3-4H2;2H,1,3H2
InChIKeySOTZLHQLDTTWLF-UHFFFAOYSA-N
MW942.51 g/mol
LogP7.75
Rot. Bonds20

About 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate

2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate (PubChem CID 91362069) has the molecular formula C30H29F19O12 and a molecular weight of 942.51 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate
PubChem CID91362069
Molecular FormulaC30H29F19O12
Molecular Weight942.51 g/mol
Exact Mass942.14
IUPAC Name2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)CF.C=CC(=O)OCC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.C=CC(=O)OCC(F)(OF)C(F)(F)F.C=CC(=O)OCCCOC(=O)C=C
InChIInChI=1S/C9H12O4.C8H5F9O3.C7H7F5O2.C6H5F5O3/c1-3-8(10)12-6-5-7-13-9(11)4-2;1-2-4(18)19-3-5(9,6(10,11)12)20-8(16,17)7(13,14)15;1-2-5(13)14-4-7(11,12)6(9,10)3-8;1-2-4(12)13-3-5(7,14-11)6(8,9)10/h3-4H,1-2,5-7H2;2H,1,3H2;2H,1,3-4H2;2H,1,3H2
InChIKeySOTZLHQLDTTWLF-UHFFFAOYSA-N
XLogP7.75
TPSA149.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-2,3,3,3-tetrafluoropropyl] prop-2-enoate
CID 137451006
[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propyl] prop-2-enoate
CID 71685931
(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
CID 58030590
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
[2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethyl] prop-2-enoate
CID 140957950
[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
CID 58122137
3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propyl prop-2-enoate
CID 123594906

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate?
The IUPAC name of 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate (CID 91362069) is 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate.
What is the SMILES notation for 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate?
The canonical SMILES for 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)CF.C=CC(=O)OCC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.C=CC(=O)OCC(F)(OF)C(F)(F)F.C=CC(=O)OCCCOC(=O)C=C.
What is the InChIKey of 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate?
The InChIKey is SOTZLHQLDTTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.C8H5F9O3.C7H7F5O2.C6H5F5O3/c1-3-8(10)12-6-5-7-13-9(11)4-2;1-2-4(18)19-3-5(9,6(10,11)12)20-8(16,17)7(13,14)15;1-2-5(13)14-4-7(11,12)6(9,10)3-8;1-2-4(12)13-3-5(7,14-11)6(8,9)10/h3-4H,1-2,5-7H2;2H,1,3H2;2H,1,3-4H2;2H,1,3H2.
What are the key properties of 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate?
2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate has a molecular weight of 942.51 g/mol, XLogP of 7.75, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate is sourced from PubChem (CID 91362069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).