2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate

C11H10F10O4 — CID 162752846

IUPAC2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F10O4/c1-3-6(22)23-4-5(2)24-8(13,14)7(12)25-11(20,21)9(15,16)10(17,18)19/h3,5,7H,1,4H2,2H3
InChIKeyNCOAYMKGOKEOQM-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.82
Rot. Bonds9

About 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate

2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate (PubChem CID 162752846) has the molecular formula C11H10F10O4 and a molecular weight of 396.18 g/mol. Its IUPAC name is 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate
PubChem CID162752846
Molecular FormulaC11H10F10O4
Molecular Weight396.18 g/mol
Exact Mass396.04
IUPAC Name2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F10O4/c1-3-6(22)23-4-5(2)24-8(13,14)7(12)25-11(20,21)9(15,16)10(17,18)19/h3,5,7H,1,4H2,2H3
InChIKeyNCOAYMKGOKEOQM-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propan-2-yl prop-2-enoate
CID 162752844
[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate
CID 88517162
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-2-methyltetradecyl) prop-2-enoate
CID 152676014
(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
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;ethyl prop-2-enoate;hydrate
CID 175188589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
2-prop-2-enylperoxypropyl prop-2-enoate
CID 89014347
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-3-prop-2-enoyloxypropanoate
CID 170086005

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate?
The IUPAC name of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate (CID 162752846) is 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate.
What is the SMILES notation for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate?
The canonical SMILES for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate is C=CC(=O)OCC(C)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate?
The InChIKey is NCOAYMKGOKEOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F10O4/c1-3-6(22)23-4-5(2)24-8(13,14)7(12)25-11(20,21)9(15,16)10(17,18)19/h3,5,7H,1,4H2,2H3.
What are the key properties of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate?
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate has a molecular weight of 396.18 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl prop-2-enoate is sourced from PubChem (CID 162752846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).