N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C9H14F3NO2 — CID 80721160

IUPACN-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)OCCNC1CC2CCC1O2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)14-4-3-13-7-5-6-1-2-8(7)15-6/h6-8,13H,1-5H2
InChIKeyMNZACJRMELRJMV-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.43
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80721160) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80721160
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)OCCNC1CC2CCC1O2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)14-4-3-13-7-5-6-1-2-8(7)15-6/h6-8,13H,1-5H2
InChIKeyMNZACJRMELRJMV-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80721160) is N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is FC(F)(F)OCCNC1CC2CCC1O2.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is MNZACJRMELRJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)14-4-3-13-7-5-6-1-2-8(7)15-6/h6-8,13H,1-5H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80721160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).