[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate

C10H11F3O3 — CID 150659241

IUPAC[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate
SMILESCOC1(C(F)(F)F)C=CC=CC1OC(C)=O
InChIInChI=1S/C10H11F3O3/c1-7(14)16-8-5-3-4-6-9(8,15-2)10(11,12)13/h3-6,8H,1-2H3
InChIKeyJDNGFNXTTIXDJU-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.99
Rot. Bonds2

About [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate

[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate (PubChem CID 150659241) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate.

Molecular Properties

Compound Name[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate
PubChem CID150659241
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate
SMILESCOC1(C(F)(F)F)C=CC=CC1OC(C)=O
InChIInChI=1S/C10H11F3O3/c1-7(14)16-8-5-3-4-6-9(8,15-2)10(11,12)13/h3-6,8H,1-2H3
InChIKeyJDNGFNXTTIXDJU-UHFFFAOYSA-N
XLogP1.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate?
The IUPAC name of [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate (CID 150659241) is [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate.
What is the SMILES notation for [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate?
The canonical SMILES for [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate is COC1(C(F)(F)F)C=CC=CC1OC(C)=O.
What is the InChIKey of [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate?
The InChIKey is JDNGFNXTTIXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-7(14)16-8-5-3-4-6-9(8,15-2)10(11,12)13/h3-6,8H,1-2H3.
What are the key properties of [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate?
[6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate has a molecular weight of 236.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl] acetate is sourced from PubChem (CID 150659241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).