2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate

C11H10F10O2 — CID 18477233

IUPAC2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H10F10O2/c1-4(2)6(22)23-3-5(12)9(16,17)7(13)10(18,19)11(20,21)8(14)15/h5,7-8H,1,3H2,2H3
InChIKeyXUAPSBTYPRYIJE-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.95
Rot. Bonds8

About 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate

2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate (PubChem CID 18477233) has the molecular formula C11H10F10O2 and a molecular weight of 364.18 g/mol. Its IUPAC name is 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate
PubChem CID18477233
Molecular FormulaC11H10F10O2
Molecular Weight364.18 g/mol
Exact Mass364.05
IUPAC Name2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H10F10O2/c1-4(2)6(22)23-3-5(12)9(16,17)7(13)10(18,19)11(20,21)8(14)15/h5,7-8H,1,3H2,2H3
InChIKeyXUAPSBTYPRYIJE-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4,4,5,5,6,6,7,7-octafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
CID 139918530
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoro-2-hydroxyundecyl) 2-methylprop-2-enoate
CID 139918567
(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
4,4,4-trifluoro-3-(2-methylprop-2-enoyloxymethyl)butanoic acid
CID 167048616
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluoroundecyl 2-methylprop-2-enoate
CID 54159363
[3,3,4,4,4-pentafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)butyl] 2-methylprop-2-enoate
CID 102083174
2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071251
2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
CID 174639375
[4,4,5,5,6,6,7,7-octafluoro-2,9-dihydroxy-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 15507715
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate?
The IUPAC name of 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate (CID 18477233) is 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate?
The InChIKey is XUAPSBTYPRYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F10O2/c1-4(2)6(22)23-3-5(12)9(16,17)7(13)10(18,19)11(20,21)8(14)15/h5,7-8H,1,3H2,2H3.
What are the key properties of 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate?
2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate has a molecular weight of 364.18 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5,6,6,7,7-decafluoroheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 18477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).