3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol

C14H15F3O3 — CID 171963415

IUPAC3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2c(F)cccc2OC(F)F)CC2CCC(C1)O2
InChIInChI=1S/C14H15F3O3/c15-10-2-1-3-11(20-13(16)17)12(10)14(18)6-8-4-5-9(7-14)19-8/h1-3,8-9,13,18H,4-7H2
InChIKeyDUINPRIVAZSHCD-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.96
Rot. Bonds3

About 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171963415) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171963415
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2c(F)cccc2OC(F)F)CC2CCC(C1)O2
InChIInChI=1S/C14H15F3O3/c15-10-2-1-3-11(20-13(16)17)12(10)14(18)6-8-4-5-9(7-14)19-8/h1-3,8-9,13,18H,4-7H2
InChIKeyDUINPRIVAZSHCD-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)-6-fluorophenyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171963418
7-[2-(difluoromethoxy)-6-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963428
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171959187
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171961468
3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665
3-(4,5-difluoro-2-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954740
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956807
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
1-cyclopropyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methylguanidine
CID 110031035

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171963415) is 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol is OC1(c2c(F)cccc2OC(F)F)CC2CCC(C1)O2.
What is the InChIKey of 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is DUINPRIVAZSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c15-10-2-1-3-11(20-13(16)17)12(10)14(18)6-8-4-5-9(7-14)19-8/h1-3,8-9,13,18H,4-7H2.
What are the key properties of 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 288.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171963415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).