8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C12H17F2N3O — CID 55256498

IUPAC8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O/c13-12(14)16-4-3-15-11(16)7-17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,12,18H,1-2,5-7H2
InChIKeyORJGRIUKFWXLJW-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.77
Rot. Bonds3

About 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55256498) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55256498
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O/c13-12(14)16-4-3-15-11(16)7-17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,12,18H,1-2,5-7H2
InChIKeyORJGRIUKFWXLJW-UHFFFAOYSA-N
XLogP1.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55256498) is 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1nccn1C(F)F.
What is the InChIKey of 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ORJGRIUKFWXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-12(14)16-4-3-15-11(16)7-17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,12,18H,1-2,5-7H2.
What are the key properties of 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 257.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55256498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).