[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate

C13H3F19O7 — CID 87618129

IUPAC[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate
SMILESC=CC(=O)OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H3F19O7/c1-2-3(33)35-4(34)5(14,15)36-8(21,22)9(23,24)38-12(29,30)13(31,32)39-11(27,28)10(25,26)37-7(19,20)6(16,17)18/h2H,1H2
InChIKeyJNXGDZFYNPBGGN-UHFFFAOYSA-N
MW632.12 g/mol
LogP5.61
Rot. Bonds13

About [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate (PubChem CID 87618129) has the molecular formula C13H3F19O7 and a molecular weight of 632.12 g/mol. Its IUPAC name is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate
PubChem CID87618129
Molecular FormulaC13H3F19O7
Molecular Weight632.12 g/mol
Exact Mass631.96
IUPAC Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate
SMILESC=CC(=O)OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H3F19O7/c1-2-3(33)35-4(34)5(14,15)36-8(21,22)9(23,24)38-12(29,30)13(31,32)39-11(27,28)10(25,26)37-7(19,20)6(16,17)18/h2H,1H2
InChIKeyJNXGDZFYNPBGGN-UHFFFAOYSA-N
XLogP5.61
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.12
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate
CID 156700386
(2,2,2-trifluoroacetyl) prop-2-eneperoxoate
CID 140517984
(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl) prop-2-eneperoxoate
CID 154203238
trifluoromethyl prop-2-enoate
CID 10197737
1,1,2,2,2-pentafluoroethyl 2,2-difluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)acetate
CID 174348525
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecyl prop-2-enoate
CID 20977299
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443
[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
prop-2-enoyl 2,2-dimethylpentanoate
CID 164546657

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate?
The IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate (CID 87618129) is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate.
What is the SMILES notation for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate?
The canonical SMILES for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate is C=CC(=O)OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate?
The InChIKey is JNXGDZFYNPBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3F19O7/c1-2-3(33)35-4(34)5(14,15)36-8(21,22)9(23,24)38-12(29,30)13(31,32)39-11(27,28)10(25,26)37-7(19,20)6(16,17)18/h2H,1H2.
What are the key properties of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate?
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate has a molecular weight of 632.12 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]acetyl] prop-2-enoate is sourced from PubChem (CID 87618129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).