3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H15F4NO2 — CID 171956801

IUPAC3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)N2
InChIInChI=1S/C14H15F4NO2/c15-12-4-3-10(21-14(16,17)18)5-11(12)13(20)6-8-1-2-9(7-13)19-8/h3-5,8-9,19-20H,1-2,6-7H2
InChIKeyKWWKIQZOONGFHA-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.83
Rot. Bonds2

About 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171956801) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171956801
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)N2
InChIInChI=1S/C14H15F4NO2/c15-12-4-3-10(21-14(16,17)18)5-11(12)13(20)6-8-1-2-9(7-13)19-8/h3-5,8-9,19-20H,1-2,6-7H2
InChIKeyKWWKIQZOONGFHA-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956807
7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963403
3-(2,3,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962539
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961833
3-[2-(trifluoromethyl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954485
3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171955105
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
4,5-difluoro-2-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171954047
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171956801) is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)N2.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KWWKIQZOONGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-12-4-3-10(21-14(16,17)18)5-11(12)13(20)6-8-1-2-9(7-13)19-8/h3-5,8-9,19-20H,1-2,6-7H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 305.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171956801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).