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

C14H14F4O3 — CID 171956807

IUPAC3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)O2
InChIInChI=1S/C14H14F4O3/c15-12-4-3-8(21-14(16,17)18)5-11(12)13(19)6-9-1-2-10(7-13)20-9/h3-5,9-10,19H,1-2,6-7H2
InChIKeyQIEOGPUJVSYPRV-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.25
Rot. Bonds2

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

3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171956807) has the molecular formula C14H14F4O3 and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171956807
Molecular FormulaC14H14F4O3
Molecular Weight306.25 g/mol
Exact Mass306.09
IUPAC Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)O2
InChIInChI=1S/C14H14F4O3/c15-12-4-3-8(21-14(16,17)18)5-11(12)13(19)6-9-1-2-10(7-13)20-9/h3-5,9-10,19H,1-2,6-7H2
InChIKeyQIEOGPUJVSYPRV-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956801
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134620299
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
1-(2,5-difluorophenyl)-3-methylcyclobutan-1-ol
CID 103564462

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171956807) is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol is OC1(c2cc(OC(F)(F)F)ccc2F)CC2CCC(C1)O2.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is QIEOGPUJVSYPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O3/c15-12-4-3-8(21-14(16,17)18)5-11(12)13(19)6-9-1-2-10(7-13)20-9/h3-5,9-10,19H,1-2,6-7H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 306.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171956807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).