2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

C15H13F3O — CID 122232931

IUPAC2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC(c2ccccc2)(C(F)(F)F)C=CC=C1
InChIInChI=1S/C15H13F3O/c1-19-13-9-5-6-10-14(11-13,15(16,17)18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVOJLNINVMLHTJZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.14
Rot. Bonds2

About 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 122232931) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID122232931
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC(c2ccccc2)(C(F)(F)F)C=CC=C1
InChIInChI=1S/C15H13F3O/c1-19-13-9-5-6-10-14(11-13,15(16,17)18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVOJLNINVMLHTJZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 122232931) is 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is COC1=CC(c2ccccc2)(C(F)(F)F)C=CC=C1.
What is the InChIKey of 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is VOJLNINVMLHTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-19-13-9-5-6-10-14(11-13,15(16,17)18)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 266.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 122232931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).