[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C8H12F3NO — CID 75481880

IUPAC[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7-4(3-12)5-1-2-6(7)13-5/h4-7H,1-3,12H2
InChIKeyPJNJRVVUSZCYHA-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.30
Rot. Bonds1

About [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 75481880) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID75481880
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7-4(3-12)5-1-2-6(7)13-5/h4-7H,1-3,12H2
InChIKeyPJNJRVVUSZCYHA-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 75481880) is [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1C2CCC(O2)C1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is PJNJRVVUSZCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7-4(3-12)5-1-2-6(7)13-5/h4-7H,1-3,12H2.
What are the key properties of [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 195.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 75481880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).