2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene

C14H15F3O — CID 71233033

IUPAC2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CCCC(OC2=CC(C(F)(F)F)CC=C2)=C1
InChIInChI=1S/C14H15F3O/c1-10-4-2-6-12(8-10)18-13-7-3-5-11(9-13)14(15,16)17/h3-4,7-9,11H,2,5-6H2,1H3
InChIKeyGFBWENASZAGFKE-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.65
Rot. Bonds2

About 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene

2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 71233033) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID71233033
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CCCC(OC2=CC(C(F)(F)F)CC=C2)=C1
InChIInChI=1S/C14H15F3O/c1-10-4-2-6-12(8-10)18-13-7-3-5-11(9-13)14(15,16)17/h3-4,7-9,11H,2,5-6H2,1H3
InChIKeyGFBWENASZAGFKE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 71233033) is 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene is CC1=CCCC(OC2=CC(C(F)(F)F)CC=C2)=C1.
What is the InChIKey of 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GFBWENASZAGFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-10-4-2-6-12(8-10)18-13-7-3-5-11(9-13)14(15,16)17/h3-4,7-9,11H,2,5-6H2,1H3.
What are the key properties of 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 256.27 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 71233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).