3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol

C10H16F2NO- — CID 58123631

IUPAC3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
SMILES[CH2-]N1C2CCC1CC(O)(C(C)(F)F)C2
InChIInChI=1S/C10H16F2NO/c1-9(11,12)10(14)5-7-3-4-8(6-10)13(7)2/h7-8,14H,2-6H2,1H3/q-1
InChIKeyRSVBZAVTLUPVBD-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.79
Rot. Bonds1

About 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol

3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 58123631) has the molecular formula C10H16F2NO- and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID58123631
Molecular FormulaC10H16F2NO-
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
SMILES[CH2-]N1C2CCC1CC(O)(C(C)(F)F)C2
InChIInChI=1S/C10H16F2NO/c1-9(11,12)10(14)5-7-3-4-8(6-10)13(7)2/h7-8,14H,2-6H2,1H3/q-1
InChIKeyRSVBZAVTLUPVBD-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol (CID 58123631) is 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol is [CH2-]N1C2CCC1CC(O)(C(C)(F)F)C2.
What is the InChIKey of 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RSVBZAVTLUPVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2NO/c1-9(11,12)10(14)5-7-3-4-8(6-10)13(7)2/h7-8,14H,2-6H2,1H3/q-1.
What are the key properties of 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 204.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 58123631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).