2-(trifluoromethoxy)cyclohexa-1,3-diene

C7H7F3O — CID 18614397

IUPAC2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1=CCCC=C1
InChIInChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyTVYCKCDMYSBHGG-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.76
Rot. Bonds1

About 2-(trifluoromethoxy)cyclohexa-1,3-diene

2-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 18614397) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID18614397
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1=CCCC=C1
InChIInChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyTVYCKCDMYSBHGG-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethoxy)cyclohexa-1,3-diene 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-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-(trifluoromethoxy)cyclohexa-1,3-diene (CID 18614397) is 2-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-(trifluoromethoxy)cyclohexa-1,3-diene is FC(F)(F)OC1=CCCC=C1.
What is the InChIKey of 2-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is TVYCKCDMYSBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-(trifluoromethoxy)cyclohexa-1,3-diene?
2-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 164.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 18614397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).