3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol

C10H16F3NO — CID 64566988

IUPAC3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-7-1-2-8(6-9)14-7/h7-8,14-15H,1-6H2
InChIKeyPKUCAQMLMRKBKY-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.97
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 64566988) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID64566988
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-7-1-2-8(6-9)14-7/h7-8,14-15H,1-6H2
InChIKeyPKUCAQMLMRKBKY-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 64566988) is 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCC(F)(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PKUCAQMLMRKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-7-1-2-8(6-9)14-7/h7-8,14-15H,1-6H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 223.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 64566988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).