bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate

C11H10F8O4 — CID 54134710

IUPACbis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C11H10F8O4/c1-5(7(21)23-4-11(18,19)9(14)15)2-6(20)22-3-10(16,17)8(12)13/h8-9H,1-4H2
InChIKeyNWVXNLSWQVBEGC-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.82
Rot. Bonds9

About bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate

bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate (PubChem CID 54134710) has the molecular formula C11H10F8O4 and a molecular weight of 358.18 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate
PubChem CID54134710
Molecular FormulaC11H10F8O4
Molecular Weight358.18 g/mol
Exact Mass358.05
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C11H10F8O4/c1-5(7(21)23-4-11(18,19)9(14)15)2-6(20)22-3-10(16,17)8(12)13/h8-9H,1-4H2
InChIKeyNWVXNLSWQVBEGC-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate (CID 54134710) is bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate is C=C(CC(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate?
The InChIKey is NWVXNLSWQVBEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F8O4/c1-5(7(21)23-4-11(18,19)9(14)15)2-6(20)22-3-10(16,17)8(12)13/h8-9H,1-4H2.
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate?
bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate has a molecular weight of 358.18 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) 2-methylidenebutanedioate is sourced from PubChem (CID 54134710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).