bis(2-fluoroethyl) 2-ethylbutanedioate

C10H16F2O4 — CID 20768695

IUPACbis(2-fluoroethyl) 2-ethylbutanedioate
SMILESCCC(CC(=O)OCCF)C(=O)OCCF
InChIInChI=1S/C10H16F2O4/c1-2-8(10(14)16-6-4-12)7-9(13)15-5-3-11/h8H,2-7H2,1H3
InChIKeyAOPDIXWABUGPEO-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.43
Rot. Bonds8

About bis(2-fluoroethyl) 2-ethylbutanedioate

bis(2-fluoroethyl) 2-ethylbutanedioate (PubChem CID 20768695) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is bis(2-fluoroethyl) 2-ethylbutanedioate.

Molecular Properties

Compound Namebis(2-fluoroethyl) 2-ethylbutanedioate
PubChem CID20768695
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Namebis(2-fluoroethyl) 2-ethylbutanedioate
SMILESCCC(CC(=O)OCCF)C(=O)OCCF
InChIInChI=1S/C10H16F2O4/c1-2-8(10(14)16-6-4-12)7-9(13)15-5-3-11/h8H,2-7H2,1H3
InChIKeyAOPDIXWABUGPEO-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluoroethyl) 2-ethylbutanedioate?
The IUPAC name of bis(2-fluoroethyl) 2-ethylbutanedioate (CID 20768695) is bis(2-fluoroethyl) 2-ethylbutanedioate.
What is the SMILES notation for bis(2-fluoroethyl) 2-ethylbutanedioate?
The canonical SMILES for bis(2-fluoroethyl) 2-ethylbutanedioate is CCC(CC(=O)OCCF)C(=O)OCCF.
What is the InChIKey of bis(2-fluoroethyl) 2-ethylbutanedioate?
The InChIKey is AOPDIXWABUGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-2-8(10(14)16-6-4-12)7-9(13)15-5-3-11/h8H,2-7H2,1H3.
What are the key properties of bis(2-fluoroethyl) 2-ethylbutanedioate?
bis(2-fluoroethyl) 2-ethylbutanedioate has a molecular weight of 238.23 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoroethyl) 2-ethylbutanedioate is sourced from PubChem (CID 20768695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).