2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C8H12F3NO — CID 66466798

IUPAC2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(C1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7H,1-3,12H2
InChIKeyHUZDAKURMYBTGV-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.44
Rot. Bonds1

About 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 66466798) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID66466798
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(C1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7H,1-3,12H2
InChIKeyHUZDAKURMYBTGV-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 66466798) is 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is NC(C1CC2CCC1O2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is HUZDAKURMYBTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7H,1-3,12H2.
What are the key properties of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 195.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 66466798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).