2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H16F3NO — CID 65419439

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2cccc(C(F)(F)F)c2)CC2CCC1O2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)10-3-1-2-9(6-10)7-13(18)8-11-4-5-12(13)19-11/h1-3,6,11-12H,4-5,7-8,18H2
InChIKeyRJABPXYGNLYQHY-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.90
Rot. Bonds2

About 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65419439) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65419439
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2cccc(C(F)(F)F)c2)CC2CCC1O2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)10-3-1-2-9(6-10)7-13(18)8-11-4-5-12(13)19-11/h1-3,6,11-12H,4-5,7-8,18H2
InChIKeyRJABPXYGNLYQHY-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65419439) is 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(Cc2cccc(C(F)(F)F)c2)CC2CCC1O2.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is RJABPXYGNLYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)10-3-1-2-9(6-10)7-13(18)8-11-4-5-12(13)19-11/h1-3,6,11-12H,4-5,7-8,18H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 271.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65419439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).