1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid

C9H9F7O3 — CID 159920783

IUPAC1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O.C4H6O2/c1-2-13-5(11,12)3(6,7)4(8,9)10;1-3(2)4(5)6/h2H,1H2;1H2,2H3,(H,5,6)
InChIKeyNYJDTUSARZUALD-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.58
Rot. Bonds4

About 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid

1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid (PubChem CID 159920783) has the molecular formula C9H9F7O3 and a molecular weight of 298.15 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid
PubChem CID159920783
Molecular FormulaC9H9F7O3
Molecular Weight298.15 g/mol
Exact Mass298.04
IUPAC Name1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O.C4H6O2/c1-2-13-5(11,12)3(6,7)4(8,9)10;1-3(2)4(5)6/h2H,1H2;1H2,2H3,(H,5,6)
InChIKeyNYJDTUSARZUALD-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-methylprop-2-enoic acid;1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluorononane-1,2-diol
CID 87359737
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
acetic acid;ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 174733583
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
carbonic acid;trifluoromethoxyethene
CID 175150293
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 161115014
ethenamine;2-methylprop-2-enoic acid
CID 18702482
1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-3-hydroxynonan-4-one;2-methylprop-2-enoic acid
CID 87139873
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 131883821
CID 131883821

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid?
The IUPAC name of 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid (CID 159920783) is 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid?
The canonical SMILES for 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=COC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid?
The InChIKey is NYJDTUSARZUALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O.C4H6O2/c1-2-13-5(11,12)3(6,7)4(8,9)10;1-3(2)4(5)6/h2H,1H2;1H2,2H3,(H,5,6).
What are the key properties of 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid?
1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid has a molecular weight of 298.15 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid is sourced from PubChem (CID 159920783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).