[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate

C14H15F9O4 — CID 121357291

IUPAC[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(C)(F)F
InChIInChI=1S/C14H15F9O4/c1-7(2)9(24)26-6-8(27-10(25)11(3,15)16)4-5-12(17,18)13(19,20)14(21,22)23/h8H,1,4-6H2,2-3H3
InChIKeyKZCMZAVPIRFXKC-UHFFFAOYSA-N
MW418.25 g/mol
LogP4.29
Rot. Bonds9

About [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate

[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate (PubChem CID 121357291) has the molecular formula C14H15F9O4 and a molecular weight of 418.25 g/mol. Its IUPAC name is [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate
PubChem CID121357291
Molecular FormulaC14H15F9O4
Molecular Weight418.25 g/mol
Exact Mass418.08
IUPAC Name[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(C)(F)F
InChIInChI=1S/C14H15F9O4/c1-7(2)9(24)26-6-8(27-10(25)11(3,15)16)4-5-12(17,18)13(19,20)14(21,22)23/h8H,1,4-6H2,2-3H3
InChIKeyKZCMZAVPIRFXKC-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 54.29
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'}

Analyze [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-icosafluoro-2-hydroxy-13-(trifluoromethyl)tetradecyl] 2-methylprop-2-enoate
CID 139913014
[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluoro-2-(2-methylprop-2-enoyloxy)dodecyl] 2-methylprop-2-enoate
CID 139878018
1,1-difluoro-2-[4,4,5,5,6,6,6-heptafluoro-1-(2-methylprop-2-enoyloxy)hexan-2-yl]oxy-2-oxoethanesulfonic acid
CID 121360659
[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 134298005
[4,4,5,5,6,7,7,7-octafluoro-2-(2-methylprop-2-enoyloxy)-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate
CID 139821954
(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tetracosafluoro-2-hydroxyhexadecyl) 2-methylprop-2-enoate
CID 139981052
(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
CID 2779093
1,1-difluoro-2-oxo-2-[4,4,5,5,5-pentafluoro-1-(2-methylprop-2-enoyloxy)pentan-2-yl]oxyethanesulfonic acid
CID 121360657
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] 2-methylprop-2-enoate
CID 2776206
2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 158490480
[4,4,5,5,6,6,7,7-octafluoro-2,9-dihydroxy-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 15507715
7,7,8,8,8-pentafluorooctan-4-yl 2-methylprop-2-enoate
CID 90250884

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate (CID 121357291) is [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCC(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(C)(F)F.
What is the InChIKey of [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate?
The InChIKey is KZCMZAVPIRFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F9O4/c1-7(2)9(24)26-6-8(27-10(25)11(3,15)16)4-5-12(17,18)13(19,20)14(21,22)23/h8H,1,4-6H2,2-3H3.
What are the key properties of [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate?
[2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate has a molecular weight of 418.25 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoropropanoyloxy)-5,5,6,6,7,7,7-heptafluoroheptyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121357291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).