5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene

C14H17F3O — CID 163649782

IUPAC5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(C(F)(F)F)C(OC2=CCCCC2)C=C1
InChIInChI=1S/C14H17F3O/c1-10-7-8-13(12(9-10)14(15,16)17)18-11-5-3-2-4-6-11/h5,7-9,12-13H,2-4,6H2,1H3
InChIKeyILGUQVBUZSDFAH-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.52
Rot. Bonds2

About 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene

5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 163649782) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID163649782
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(C(F)(F)F)C(OC2=CCCCC2)C=C1
InChIInChI=1S/C14H17F3O/c1-10-7-8-13(12(9-10)14(15,16)17)18-11-5-3-2-4-6-11/h5,7-9,12-13H,2-4,6H2,1H3
InChIKeyILGUQVBUZSDFAH-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 163649782) is 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene is CC1=CC(C(F)(F)F)C(OC2=CCCCC2)C=C1.
What is the InChIKey of 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is ILGUQVBUZSDFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-10-7-8-13(12(9-10)14(15,16)17)18-11-5-3-2-4-6-11/h5,7-9,12-13H,2-4,6H2,1H3.
What are the key properties of 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene?
5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 258.28 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 163649782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).