5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

C10H13F3O — CID 162578388

IUPAC5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCCC1C=CC=C(OC(F)(F)F)C1C
InChIInChI=1S/C10H13F3O/c1-3-8-5-4-6-9(7(8)2)14-10(11,12)13/h4-8H,3H2,1-2H3
InChIKeyXPFHMHSITKWQAI-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.64
Rot. Bonds2

About 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 162578388) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID162578388
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCCC1C=CC=C(OC(F)(F)F)C1C
InChIInChI=1S/C10H13F3O/c1-3-8-5-4-6-9(7(8)2)14-10(11,12)13/h4-8H,3H2,1-2H3
InChIKeyXPFHMHSITKWQAI-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
6-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 77487276
(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
CID 89339975
1-Propan-2-yl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 91084115
5-Ethyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123769168
4-Fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 126486242
2-Fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130204418
(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene
CID 130216430
5-Fluoro-1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 132044460

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 162578388) is 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is CCC1C=CC=C(OC(F)(F)F)C1C.
What is the InChIKey of 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is XPFHMHSITKWQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-3-8-5-4-6-9(7(8)2)14-10(11,12)13/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 206.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 162578388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).