diethyl 2,2-difluoro-4-methylpentanedioate

C10H16F2O4 — CID 142601676

IUPACdiethyl 2,2-difluoro-4-methylpentanedioate
SMILESCCOC(=O)C(C)CC(F)(F)C(=O)OCC
InChIInChI=1S/C10H16F2O4/c1-4-15-8(13)7(3)6-10(11,12)9(14)16-5-2/h7H,4-6H2,1-3H3
InChIKeyJFJMTKFPMFLOQI-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.77
Rot. Bonds6

About diethyl 2,2-difluoro-4-methylpentanedioate

diethyl 2,2-difluoro-4-methylpentanedioate (PubChem CID 142601676) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is diethyl 2,2-difluoro-4-methylpentanedioate.

Molecular Properties

Compound Namediethyl 2,2-difluoro-4-methylpentanedioate
PubChem CID142601676
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Namediethyl 2,2-difluoro-4-methylpentanedioate
SMILESCCOC(=O)C(C)CC(F)(F)C(=O)OCC
InChIInChI=1S/C10H16F2O4/c1-4-15-8(13)7(3)6-10(11,12)9(14)16-5-2/h7H,4-6H2,1-3H3
InChIKeyJFJMTKFPMFLOQI-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,2-difluoro-4-methylpentanedioate?
The IUPAC name of diethyl 2,2-difluoro-4-methylpentanedioate (CID 142601676) is diethyl 2,2-difluoro-4-methylpentanedioate.
What is the SMILES notation for diethyl 2,2-difluoro-4-methylpentanedioate?
The canonical SMILES for diethyl 2,2-difluoro-4-methylpentanedioate is CCOC(=O)C(C)CC(F)(F)C(=O)OCC.
What is the InChIKey of diethyl 2,2-difluoro-4-methylpentanedioate?
The InChIKey is JFJMTKFPMFLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-4-15-8(13)7(3)6-10(11,12)9(14)16-5-2/h7H,4-6H2,1-3H3.
What are the key properties of diethyl 2,2-difluoro-4-methylpentanedioate?
diethyl 2,2-difluoro-4-methylpentanedioate has a molecular weight of 238.23 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2-difluoro-4-methylpentanedioate is sourced from PubChem (CID 142601676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).