2-(trifluoromethoxy)cyclohepta-1,3,5-triene

C8H7F3O — CID 129209204

IUPAC2-(trifluoromethoxy)cyclohepta-1,3,5-triene
SMILESFC(F)(F)OC1=CCC=CC=C1
InChIInChI=1S/C8H7F3O/c9-8(10,11)12-7-5-3-1-2-4-6-7/h1-3,5-6H,4H2
InChIKeyNIMBAYHDRQQSDZ-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.92
Rot. Bonds1

About 2-(trifluoromethoxy)cyclohepta-1,3,5-triene

2-(trifluoromethoxy)cyclohepta-1,3,5-triene (PubChem CID 129209204) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 2-(trifluoromethoxy)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-(trifluoromethoxy)cyclohepta-1,3,5-triene
PubChem CID129209204
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name2-(trifluoromethoxy)cyclohepta-1,3,5-triene
SMILESFC(F)(F)OC1=CCC=CC=C1
InChIInChI=1S/C8H7F3O/c9-8(10,11)12-7-5-3-1-2-4-6-7/h1-3,5-6H,4H2
InChIKeyNIMBAYHDRQQSDZ-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The IUPAC name of 2-(trifluoromethoxy)cyclohepta-1,3,5-triene (CID 129209204) is 2-(trifluoromethoxy)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The canonical SMILES for 2-(trifluoromethoxy)cyclohepta-1,3,5-triene is FC(F)(F)OC1=CCC=CC=C1.
What is the InChIKey of 2-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The InChIKey is NIMBAYHDRQQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c9-8(10,11)12-7-5-3-1-2-4-6-7/h1-3,5-6H,4H2.
What are the key properties of 2-(trifluoromethoxy)cyclohepta-1,3,5-triene?
2-(trifluoromethoxy)cyclohepta-1,3,5-triene has a molecular weight of 176.14 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)cyclohepta-1,3,5-triene is sourced from PubChem (CID 129209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).