3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C10H14F3NO2 — CID 63764338

IUPAC3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)5-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2
InChIKeyRTFFPIHRXBSNIE-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.45
Rot. Bonds1

About 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 63764338) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID63764338
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)5-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2
InChIKeyRTFFPIHRXBSNIE-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 63764338) is 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is RTFFPIHRXBSNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)5-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2.
What are the key properties of 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 237.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 63764338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).