1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

C17H17F3 — CID 135042934

IUPAC1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C)=CC(c2ccccc2)(C(F)(F)F)C(C)=C1
InChIInChI=1S/C17H17F3/c1-12-9-13(2)11-16(14(3)10-12,17(18,19)20)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyACKZVBXFNCAHER-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.34
Rot. Bonds1

About 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 135042934) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID135042934
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C)=CC(c2ccccc2)(C(F)(F)F)C(C)=C1
InChIInChI=1S/C17H17F3/c1-12-9-13(2)11-16(14(3)10-12,17(18,19)20)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyACKZVBXFNCAHER-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 15180812
1,3-diphenyl-1-(trifluoromethyl)indene
CID 137346219
1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
CID 123470859
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
dimethyl 6-methyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 177493653
1,3-diphenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 122232215
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964
2,4-dimethyl-2,6-diphenylthiopyran
CID 86008412
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 122232924
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 135042934) is 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is CC1=CC(C)=CC(c2ccccc2)(C(F)(F)F)C(C)=C1.
What is the InChIKey of 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is ACKZVBXFNCAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-12-9-13(2)11-16(14(3)10-12,17(18,19)20)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 278.32 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 135042934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).