[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate

C12H16F2O4 — CID 58225829

IUPAC[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
SMILESCC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2
InChIInChI=1S/C12H16F2O4/c1-12(5-7-2-3-8(12)4-7)18-9(15)6-17-11(16)10(13)14/h7-8,10H,2-6H2,1H3
InChIKeyWRBMFDIHCUSLHD-UHFFFAOYSA-N
MW262.25 g/mol
LogP1.92
Rot. Bonds4

About [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate

[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate (PubChem CID 58225829) has the molecular formula C12H16F2O4 and a molecular weight of 262.25 g/mol. Its IUPAC name is [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate.

Molecular Properties

Compound Name[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
PubChem CID58225829
Molecular FormulaC12H16F2O4
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
SMILESCC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2
InChIInChI=1S/C12H16F2O4/c1-12(5-7-2-3-8(12)4-7)18-9(15)6-17-11(16)10(13)14/h7-8,10H,2-6H2,1H3
InChIKeyWRBMFDIHCUSLHD-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate with MolForge

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Related Compounds

2,2,2-Trifluoroethyl 2,3,3,3-tetrafluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propanoate
CID 140317203
Tert-butyl 2-[1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyacetate
CID 20743958
Tert-butyl 2-[2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetate
CID 20756305
Tert-butyl 2-[1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxyacetate
CID 20756307
Tert-butyl 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetate
CID 20771673
Tert-butyl 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetate
CID 20771674
[2-(Trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
CID 21053474
[3,3-Difluoro-2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
CID 21053476
2-[2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetic acid
CID 57526185
Tert-butyl 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyacetate
CID 58205903
[2-Oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate
CID 58225765
[2-[(2-Butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
CID 58225773

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate?
The IUPAC name of [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate (CID 58225829) is [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate.
What is the SMILES notation for [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate?
The canonical SMILES for [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate is CC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2.
What is the InChIKey of [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate?
The InChIKey is WRBMFDIHCUSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O4/c1-12(5-7-2-3-8(12)4-7)18-9(15)6-17-11(16)10(13)14/h7-8,10H,2-6H2,1H3.
What are the key properties of [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate?
[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate has a molecular weight of 262.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate is sourced from PubChem (CID 58225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).