dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate

C10H14F4O4 — CID 15006637

IUPACdimethyl 2,3-bis(2,2-difluoroethyl)butanedioate
SMILESCOC(=O)C(CC(F)F)C(CC(F)F)C(=O)OC
InChIInChI=1S/C10H14F4O4/c1-17-9(15)5(3-7(11)12)6(4-8(13)14)10(16)18-2/h5-8H,3-4H2,1-2H3
InChIKeyOTSAQFVRNRJIGB-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.88
Rot. Bonds7

About dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate

dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate (PubChem CID 15006637) has the molecular formula C10H14F4O4 and a molecular weight of 274.21 g/mol. Its IUPAC name is dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis(2,2-difluoroethyl)butanedioate
PubChem CID15006637
Molecular FormulaC10H14F4O4
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Namedimethyl 2,3-bis(2,2-difluoroethyl)butanedioate
SMILESCOC(=O)C(CC(F)F)C(CC(F)F)C(=O)OC
InChIInChI=1S/C10H14F4O4/c1-17-9(15)5(3-7(11)12)6(4-8(13)14)10(16)18-2/h5-8H,3-4H2,1-2H3
InChIKeyOTSAQFVRNRJIGB-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate?
The IUPAC name of dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate (CID 15006637) is dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate.
What is the SMILES notation for dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate?
The canonical SMILES for dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate is COC(=O)C(CC(F)F)C(CC(F)F)C(=O)OC.
What is the InChIKey of dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate?
The InChIKey is OTSAQFVRNRJIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O4/c1-17-9(15)5(3-7(11)12)6(4-8(13)14)10(16)18-2/h5-8H,3-4H2,1-2H3.
What are the key properties of dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate?
dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate has a molecular weight of 274.21 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-bis(2,2-difluoroethyl)butanedioate is sourced from PubChem (CID 15006637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).