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

C10H16F3NO2 — CID 80719468

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)COCCNC1CC2CCC1O2
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-15-4-3-14-8-5-7-1-2-9(8)16-7/h7-9,14H,1-6H2
InChIKeyVXCINIZSBPPTMY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.47
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80719468) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80719468
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)COCCNC1CC2CCC1O2
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-15-4-3-14-8-5-7-1-2-9(8)16-7/h7-9,14H,1-6H2
InChIKeyVXCINIZSBPPTMY-UHFFFAOYSA-N
XLogP1.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.47
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-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80719468) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is FC(F)(F)COCCNC1CC2CCC1O2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is VXCINIZSBPPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-15-4-3-14-8-5-7-1-2-9(8)16-7/h7-9,14H,1-6H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 239.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80719468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).