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

C14H11F3 — CID 122232924

IUPAC7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESFC(F)(F)C1(c2ccccc2)C=CC=CC=C1
InChIInChI=1S/C14H11F3/c15-14(16,17)13(10-6-1-2-7-11-13)12-8-4-3-5-9-12/h1-11H
InChIKeyMTKGCXXTIAEGKA-UHFFFAOYSA-N
MW236.24 g/mol
LogP4.17
Rot. Bonds1

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

7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 122232924) has the molecular formula C14H11F3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID122232924
Molecular FormulaC14H11F3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESFC(F)(F)C1(c2ccccc2)C=CC=CC=C1
InChIInChI=1S/C14H11F3/c15-14(16,17)13(10-6-1-2-7-11-13)12-8-4-3-5-9-12/h1-11H
InChIKeyMTKGCXXTIAEGKA-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 122232924) is 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is FC(F)(F)C1(c2ccccc2)C=CC=CC=C1.
What is the InChIKey of 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is MTKGCXXTIAEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3/c15-14(16,17)13(10-6-1-2-7-11-13)12-8-4-3-5-9-12/h1-11H.
What are the key properties of 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 236.24 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 122232924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).