3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol

C15H17F3O2 — CID 171964084

IUPAC3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccccc2C(F)(F)F)CC2CCC(C1)O2
InChIInChI=1S/C15H17F3O2/c16-15(17,18)13-4-2-1-3-10(13)7-14(19)8-11-5-6-12(9-14)20-11/h1-4,11-12,19H,5-9H2
InChIKeyNHRGWTJXXADWPE-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.32
Rot. Bonds2

About 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171964084) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171964084
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccccc2C(F)(F)F)CC2CCC(C1)O2
InChIInChI=1S/C15H17F3O2/c16-15(17,18)13-4-2-1-3-10(13)7-14(19)8-11-5-6-12(9-14)20-11/h1-4,11-12,19H,5-9H2
InChIKeyNHRGWTJXXADWPE-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171964084) is 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol is OC1(Cc2ccccc2C(F)(F)F)CC2CCC(C1)O2.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is NHRGWTJXXADWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)13-4-2-1-3-10(13)7-14(19)8-11-5-6-12(9-14)20-11/h1-4,11-12,19H,5-9H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 286.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).