7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C14H16F3NO3 — CID 171963403

IUPAC7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CC2COCC(C1)N2
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-12-3-1-2-9(4-12)13(19)5-10-7-20-8-11(6-13)18-10/h1-4,10-11,18-19H,5-8H2
InChIKeyXACVRCONURRARK-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.92
Rot. Bonds2

About 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171963403) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171963403
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CC2COCC(C1)N2
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-12-3-1-2-9(4-12)13(19)5-10-7-20-8-11(6-13)18-10/h1-4,10-11,18-19H,5-8H2
InChIKeyXACVRCONURRARK-UHFFFAOYSA-N
XLogP1.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171963403) is 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2cccc(OC(F)(F)F)c2)CC2COCC(C1)N2.
What is the InChIKey of 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is XACVRCONURRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)21-12-3-1-2-9(4-12)13(19)5-10-7-20-8-11(6-13)18-10/h1-4,10-11,18-19H,5-8H2.
What are the key properties of 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 303.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171963403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).