2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate

C11H8F12O2 — CID 151064296

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C11H8F12O2/c1-3-5(24)25-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(2,12)13/h3H,1,4H2,2H3
InChIKeyMGUUFSVCDLPBFW-UHFFFAOYSA-N
MW400.16 g/mol
LogP4.55
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate (PubChem CID 151064296) has the molecular formula C11H8F12O2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
PubChem CID151064296
Molecular FormulaC11H8F12O2
Molecular Weight400.16 g/mol
Exact Mass400.03
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C11H8F12O2/c1-3-5(24)25-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(2,12)13/h3H,1,4H2,2H3
InChIKeyMGUUFSVCDLPBFW-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.55
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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
CID 58030590
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl prop-2-enoate
CID 52991911
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-hydroxyundecan-2-yl) 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate
CID 54220239
[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-tert-butyl-2,4,4-trimethylpentyl) prop-2-enoate
CID 88560431

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate (CID 151064296) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate?
The InChIKey is MGUUFSVCDLPBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F12O2/c1-3-5(24)25-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(2,12)13/h3H,1,4H2,2H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate has a molecular weight of 400.16 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate is sourced from PubChem (CID 151064296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).