4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane

C10H15F3O — CID 91700767

IUPAC4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC12CCC(C(F)(F)F)(OC1)C2(C)C
InChIInChI=1S/C10H15F3O/c1-7(2)8(3)4-5-9(7,14-6-8)10(11,12)13/h4-6H2,1-3H3
InChIKeyCUWNLMSDRCDZNS-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.14
Rot. Bonds

About 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane

4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane (PubChem CID 91700767) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane
PubChem CID91700767
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC12CCC(C(F)(F)F)(OC1)C2(C)C
InChIInChI=1S/C10H15F3O/c1-7(2)8(3)4-5-9(7,14-6-8)10(11,12)13/h4-6H2,1-3H3
InChIKeyCUWNLMSDRCDZNS-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane (CID 91700767) is 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane is CC12CCC(C(F)(F)F)(OC1)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane?
The InChIKey is CUWNLMSDRCDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-7(2)8(3)4-5-9(7,14-6-8)10(11,12)13/h4-6H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane?
4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane has a molecular weight of 208.22 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 91700767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).