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

C10H13F3 — CID 91409560

IUPAC5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCC1C=C(C)C(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3/c1-3-8-4-5-9(7(2)6-8)10(11,12)13/h5-6,8H,3-4H2,1-2H3
InChIKeyPWSLYOHVFCOXEY-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.85
Rot. Bonds1

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

5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 91409560) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID91409560
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCC1C=C(C)C(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3/c1-3-8-4-5-9(7(2)6-8)10(11,12)13/h5-6,8H,3-4H2,1-2H3
InChIKeyPWSLYOHVFCOXEY-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5,8-p-Menthatriene
CID 527424
1,2,3,4-Tetramethyl-5-(trifluoromethyl)cyclopenta-1,3-diene
CID 12975919
1,2,3,5-Tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene
CID 15553024
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
1,2,3,6-Tetramethylcyclohexa-1,3-diene
CID 33115
5,6,6-Dimethylcyclohexa-2,4-dien
CID 12599190
5-(Methylethenyl)-2,3-dimethyl-1,3-cyclohexadiene
CID 129659846
1,2-Dimethyl-4-(trifluoromethyl)cyclohexa-1,4-diene
CID 12717786
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1,2,4,5-Tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 15823305
6-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 17900785
6-Ethenyl-3-fluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 17946125

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 91409560) is 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene is CCC1C=C(C)C(C(F)(F)F)=CC1.
What is the InChIKey of 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is PWSLYOHVFCOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-3-8-4-5-9(7(2)6-8)10(11,12)13/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene?
5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 91409560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).