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

C14H20F2O4 — CID 58225765

IUPAC[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate
SMILESCCCC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2
InChIInChI=1S/C14H20F2O4/c1-2-5-14(7-9-3-4-10(14)6-9)20-11(17)8-19-13(18)12(15)16/h9-10,12H,2-8H2,1H3
InChIKeyHDDPHXPQYCRSPQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.70
Rot. Bonds6

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

[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate (PubChem CID 58225765) has the molecular formula C14H20F2O4 and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate
PubChem CID58225765
Molecular FormulaC14H20F2O4
Molecular Weight290.31 g/mol
Exact Mass290.13
IUPAC Name[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate
SMILESCCCC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2
InChIInChI=1S/C14H20F2O4/c1-2-5-14(7-9-3-4-10(14)6-9)20-11(17)8-19-13(18)12(15)16/h9-10,12H,2-8H2,1H3
InChIKeyHDDPHXPQYCRSPQ-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 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-[(2-Butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
CID 58225773
[2-[(2-Methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoroacetate
CID 58225829

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate?
The IUPAC name of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate (CID 58225765) is [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate.
What is the SMILES notation for [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate?
The canonical SMILES for [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate is CCCC1(OC(=O)COC(=O)C(F)F)CC2CCC1C2.
What is the InChIKey of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate?
The InChIKey is HDDPHXPQYCRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O4/c1-2-5-14(7-9-3-4-10(14)6-9)20-11(17)8-19-13(18)12(15)16/h9-10,12H,2-8H2,1H3.
What are the key properties of [2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate?
[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoroacetate has a molecular weight of 290.31 g/mol, XLogP of 2.70, 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-difluoroacetate is sourced from PubChem (CID 58225765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).