2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate

C10H15F2NO2 — CID 91175586

IUPAC2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC(F)F)N1C2CCCC1CC2
InChIInChI=1S/C10H15F2NO2/c11-9(12)6-15-10(14)13-7-2-1-3-8(13)5-4-7/h7-9H,1-6H2
InChIKeyKEQIZKMEROMCJB-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.40
Rot. Bonds2

About 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate

2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 91175586) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID91175586
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC(F)F)N1C2CCCC1CC2
InChIInChI=1S/C10H15F2NO2/c11-9(12)6-15-10(14)13-7-2-1-3-8(13)5-4-7/h7-9H,1-6H2
InChIKeyKEQIZKMEROMCJB-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate (CID 91175586) is 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCC(F)F)N1C2CCCC1CC2.
What is the InChIKey of 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is KEQIZKMEROMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-9(12)6-15-10(14)13-7-2-1-3-8(13)5-4-7/h7-9H,1-6H2.
What are the key properties of 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 219.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 91175586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).