5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene

C10H13F3O — CID 166967442

IUPAC5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCOCC1(C)C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3O/c1-9(7-14-2)5-3-8(4-6-9)10(11,12)13/h3-5H,6-7H2,1-2H3
InChIKeyYSLOTPQZXIYYAP-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.09
Rot. Bonds2

About 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene

5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 166967442) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID166967442
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCOCC1(C)C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3O/c1-9(7-14-2)5-3-8(4-6-9)10(11,12)13/h3-5H,6-7H2,1-2H3
InChIKeyYSLOTPQZXIYYAP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 166967442) is 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene is COCC1(C)C=CC(C(F)(F)F)=CC1.
What is the InChIKey of 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is YSLOTPQZXIYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-9(7-14-2)5-3-8(4-6-9)10(11,12)13/h3-5H,6-7H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 206.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 166967442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).