8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde

C10H14F3NO — CID 18356411

IUPAC8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESO=CC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h5,7-9H,1-4,6H2
InChIKeyPNYWWBQAXARCDI-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.99
Rot. Bonds2

About 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde

8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde (PubChem CID 18356411) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde
PubChem CID18356411
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESO=CC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h5,7-9H,1-4,6H2
InChIKeyPNYWWBQAXARCDI-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde (CID 18356411) is 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde is O=CC1CC2CCC(C1)N2CC(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde?
The InChIKey is PNYWWBQAXARCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h5,7-9H,1-4,6H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde?
8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde has a molecular weight of 221.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde is sourced from PubChem (CID 18356411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).