2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid

C19H10F16O2 — CID 173142285

IUPAC2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid
SMILESO=C(O)C(=CC=Cc1ccccc1)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H10F16O2/c20-11(10(12(36)37)8-4-7-9-5-2-1-3-6-9)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)35/h1-8,11H,(H,36,37)
InChIKeyYPGKWYVWEIXPLX-UHFFFAOYSA-N
MW574.26 g/mol
LogP7.42
Rot. Bonds10

About 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid

2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid (PubChem CID 173142285) has the molecular formula C19H10F16O2 and a molecular weight of 574.26 g/mol. Its IUPAC name is 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid.

Molecular Properties

Compound Name2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid
PubChem CID173142285
Molecular FormulaC19H10F16O2
Molecular Weight574.26 g/mol
Exact Mass574.04
IUPAC Name2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid
SMILESO=C(O)C(=CC=Cc1ccccc1)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H10F16O2/c20-11(10(12(36)37)8-4-7-9-5-2-1-3-6-9)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)35/h1-8,11H,(H,36,37)
InChIKeyYPGKWYVWEIXPLX-UHFFFAOYSA-N
XLogP7.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.26
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid?
The IUPAC name of 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid (CID 173142285) is 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid.
What is the SMILES notation for 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid?
The canonical SMILES for 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid is O=C(O)C(=CC=Cc1ccccc1)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid?
The InChIKey is YPGKWYVWEIXPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F16O2/c20-11(10(12(36)37)8-4-7-9-5-2-1-3-6-9)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)35/h1-8,11H,(H,36,37).
What are the key properties of 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid?
2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid has a molecular weight of 574.26 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnamylidene-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid is sourced from PubChem (CID 173142285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).