2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane

C16H19F3O — CID 166987016

IUPAC2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)(c1ccc(C(F)(F)F)cc1)C1CC2CCC1O2
InChIInChI=1S/C16H19F3O/c1-15(2,13-9-12-7-8-14(13)20-12)10-3-5-11(6-4-10)16(17,18)19/h3-6,12-14H,7-9H2,1-2H3
InChIKeyWOPMZJGLBBIRIJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.55
Rot. Bonds2

About 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane

2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane (PubChem CID 166987016) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane
PubChem CID166987016
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)(c1ccc(C(F)(F)F)cc1)C1CC2CCC1O2
InChIInChI=1S/C16H19F3O/c1-15(2,13-9-12-7-8-14(13)20-12)10-3-5-11(6-4-10)16(17,18)19/h3-6,12-14H,7-9H2,1-2H3
InChIKeyWOPMZJGLBBIRIJ-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane (CID 166987016) is 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane is CC(C)(c1ccc(C(F)(F)F)cc1)C1CC2CCC1O2.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane?
The InChIKey is WOPMZJGLBBIRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O/c1-15(2,13-9-12-7-8-14(13)20-12)10-3-5-11(6-4-10)16(17,18)19/h3-6,12-14H,7-9H2,1-2H3.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane?
2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane has a molecular weight of 284.32 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 166987016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).