(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

C14H16F3NO — CID 12999584

IUPAC(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13?
InChIKeyCIJDXZHBTVURGN-QYJAPNMZSA-N
MW271.28 g/mol
LogP3.37
Rot. Bonds2

About (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 12999584) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID12999584
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13?
InChIKeyCIJDXZHBTVURGN-QYJAPNMZSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane (CID 12999584) is (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane is FC(F)(F)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)c1.
What is the InChIKey of (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is CIJDXZHBTVURGN-QYJAPNMZSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13?.
What are the key properties of (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 271.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 12999584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).