(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene

C7H6F3O+ — CID 155788491

IUPAC(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)O[C@H]1C=CC=C[CH+]1
InChIInChI=1S/C7H6F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-6H/q+1
InChIKeyGKAIXBQYLCGKSD-UHFFFAOYSA-N
MW163.12 g/mol
LogP2.22
Rot. Bonds1

About (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene

(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 155788491) has the molecular formula C7H6F3O+ and a molecular weight of 163.12 g/mol. Its IUPAC name is (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID155788491
Molecular FormulaC7H6F3O+
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)O[C@H]1C=CC=C[CH+]1
InChIInChI=1S/C7H6F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-6H/q+1
InChIKeyGKAIXBQYLCGKSD-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene (CID 155788491) is (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene is FC(F)(F)O[C@H]1C=CC=C[CH+]1.
What is the InChIKey of (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is GKAIXBQYLCGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-6H/q+1.
What are the key properties of (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene?
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 163.12 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 155788491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).