bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate

C11H6F10O4 — CID 101472859

IUPACbis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate
SMILESO=C(CCCC(=O)OC(=C(F)F)C(F)(F)F)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C11H6F10O4/c12-8(13)6(10(16,17)18)24-4(22)2-1-3-5(23)25-7(9(14)15)11(19,20)21/h1-3H2
InChIKeyUKFQCNMEJKBLHN-UHFFFAOYSA-N
MW392.15 g/mol
LogP4.58
Rot. Bonds6

About bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate

bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate (PubChem CID 101472859) has the molecular formula C11H6F10O4 and a molecular weight of 392.15 g/mol. Its IUPAC name is bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate.

Molecular Properties

Compound Namebis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate
PubChem CID101472859
Molecular FormulaC11H6F10O4
Molecular Weight392.15 g/mol
Exact Mass392.01
IUPAC Namebis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate
SMILESO=C(CCCC(=O)OC(=C(F)F)C(F)(F)F)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C11H6F10O4/c12-8(13)6(10(16,17)18)24-4(22)2-1-3-5(23)25-7(9(14)15)11(19,20)21/h1-3H2
InChIKeyUKFQCNMEJKBLHN-UHFFFAOYSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) decanoate
CID 18429126
(2,2,2-trifluoroacetyl) nonanoate
CID 18429125
(2,2,2-trifluoroacetyl) 4-(methylamino)butanoate
CID 166692390
ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate
CID 91327981
(4,4,4-trifluoro-3-oxobutanoyl) 4,4,4-trifluoro-3-oxobutanoate
CID 87675460
(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl) 2,2,2-trifluoroacetate
CID 15655236
(2,2,2-trifluoroacetyl) 3-chloropropanoate
CID 154350326
1,1,3,3,3-pentafluoro-2-(2,2,2-trifluoroethoxy)prop-1-ene
CID 122598999
(2,2,2-trifluoroacetyl) 4-pyrrol-1-ylbutanoate
CID 142653340
butanoyl 5-oxohexanoate;zirconium
CID 89414509
methyl 7,7,7-trifluoro-6-hydroxyiminoheptanoate
CID 154735441
diprop-2-enoyl pentanedioate
CID 54164041

Frequently Asked Questions

What is the IUPAC name of bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate?
The IUPAC name of bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate (CID 101472859) is bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate.
What is the SMILES notation for bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate?
The canonical SMILES for bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate is O=C(CCCC(=O)OC(=C(F)F)C(F)(F)F)OC(=C(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate?
The InChIKey is UKFQCNMEJKBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F10O4/c12-8(13)6(10(16,17)18)24-4(22)2-1-3-5(23)25-7(9(14)15)11(19,20)21/h1-3H2.
What are the key properties of bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate?
bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate has a molecular weight of 392.15 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate is sourced from PubChem (CID 101472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).