[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate

C15H22F2O4 — CID 59602417

IUPAC[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate
SMILESCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2
InChIInChI=1S/C15H22F2O4/c1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17/h10-11H,3-9H2,1-2H3
InChIKeyURXRYRYXZOBTHX-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.09
Rot. Bonds6

About [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate

[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate (PubChem CID 59602417) has the molecular formula C15H22F2O4 and a molecular weight of 304.33 g/mol. Its IUPAC name is [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate
PubChem CID59602417
Molecular FormulaC15H22F2O4
Molecular Weight304.33 g/mol
Exact Mass304.15
IUPAC Name[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate
SMILESCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2
InChIInChI=1S/C15H22F2O4/c1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17/h10-11H,3-9H2,1-2H3
InChIKeyURXRYRYXZOBTHX-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate?
The IUPAC name of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate (CID 59602417) is [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate.
What is the SMILES notation for [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate?
The canonical SMILES for [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate is CCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.
What is the InChIKey of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate?
The InChIKey is URXRYRYXZOBTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O4/c1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17/h10-11H,3-9H2,1-2H3.
What are the key properties of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate?
[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate has a molecular weight of 304.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 59602417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).