(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene

C11H12ClF3 — CID 70320041

IUPAC(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
SMILESCC1(Cl)C=CC(C)(C(F)(F)F)/C=C\C=C/1
InChIInChI=1S/C11H12ClF3/c1-9(11(13,14)15)5-3-4-6-10(2,12)8-7-9/h3-8H,1-2H3/b5-3-,6-4-,8-7?
InChIKeyXDNWLDUNQYBNLU-GAJQIJDCSA-N
MW236.66 g/mol
LogP4.23
Rot. Bonds

About (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene

(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene (PubChem CID 70320041) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene.

Molecular Properties

Compound Name(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
PubChem CID70320041
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
SMILESCC1(Cl)C=CC(C)(C(F)(F)F)/C=C\C=C/1
InChIInChI=1S/C11H12ClF3/c1-9(11(13,14)15)5-3-4-6-10(2,12)8-7-9/h3-8H,1-2H3/b5-3-,6-4-,8-7?
InChIKeyXDNWLDUNQYBNLU-GAJQIJDCSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z,8S)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
CID 71193173
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(3Z,5E)-4-chloro-3-fluoro-6-methylocta-1,3,5-triene
CID 88067913
(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 88583444
(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene
CID 88884809
(3E)-3-chloro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
CID 88909259
(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene
CID 89174486
(3Z,5Z)-3-chloro-4-fluoro-5-methylhepta-1,3,5-triene
CID 89352576
(5E)-5-[(Z)-1-chlorobut-2-enylidene]-6-methylidene-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89785785
1-Chloro-3-methyl-3-(trifluoromethyl)cyclohexa-1,4-diene
CID 90857120
2-Chloro-3-fluoro-2-methylocta-3,5-diene
CID 91409622
(3E,5E)-6-chloro-4-(trifluoromethyl)hepta-1,3,5-triene
CID 117801582

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene?
The IUPAC name of (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene (CID 70320041) is (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene.
What is the SMILES notation for (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene?
The canonical SMILES for (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene is CC1(Cl)C=CC(C)(C(F)(F)F)/C=C\C=C/1.
What is the InChIKey of (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene?
The InChIKey is XDNWLDUNQYBNLU-GAJQIJDCSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-9(11(13,14)15)5-3-4-6-10(2,12)8-7-9/h3-8H,1-2H3/b5-3-,6-4-,8-7?.
What are the key properties of (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene?
(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene has a molecular weight of 236.66 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene is sourced from PubChem (CID 70320041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).