[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate

C15H14F10O4 — CID 87083622

IUPAC[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(=C)C
InChIInChI=1S/C15H14F10O4/c1-7(2)9(26)28-5-11(16,17)13(20,21)15(24,25)14(22,23)12(18,19)6-29-10(27)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyMKNSSKJNKPWXMQ-UHFFFAOYSA-N
MW448.25 g/mol
LogP4.40
Rot. Bonds10

About [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate

[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate (PubChem CID 87083622) has the molecular formula C15H14F10O4 and a molecular weight of 448.25 g/mol. Its IUPAC name is [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
PubChem CID87083622
Molecular FormulaC15H14F10O4
Molecular Weight448.25 g/mol
Exact Mass448.07
IUPAC Name[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(=C)C
InChIInChI=1S/C15H14F10O4/c1-7(2)9(26)28-5-11(16,17)13(20,21)15(24,25)14(22,23)12(18,19)6-29-10(27)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyMKNSSKJNKPWXMQ-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.25
LogP ≤ 54.40
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 [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 2-methylidenebutanoate
CID 23539935
methyl 2-methylprop-2-enoate;1-O-methyl 6-O-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) 2,2,5,5-tetramethylhexanedioate;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
CID 158794120
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-chloroprop-2-enoate
CID 139939074
[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 161443281
[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-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[10-[bis[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-(2-methylprop-2-enoyloxy)decoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl] 2-methylprop-2-enoate;[10-[2-[bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-prop-2-enoyloxydecoxy)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoro-11-prop-2-enoyloxyundecoxy)silyl]ethyl-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-prop-2-enoyloxydecoxy)silyl]oxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl] prop-2-enoate
CID 159909128
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acetate
CID 154385185
3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,12-nonadecafluorododecyl 2-methylprop-2-enoate
CID 122657841
[4,4,5,5,6,6,7,7-octafluoro-2,9-dihydroxy-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 15507715

Frequently Asked Questions

What is the IUPAC name of [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate?
The IUPAC name of [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate (CID 87083622) is [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(=C)C.
What is the InChIKey of [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate?
The InChIKey is MKNSSKJNKPWXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F10O4/c1-7(2)9(26)28-5-11(16,17)13(20,21)15(24,25)14(22,23)12(18,19)6-29-10(27)8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate?
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate has a molecular weight of 448.25 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87083622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).