[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene

C13H11F3 — CID 175695808

IUPAC[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESFC(F)(F)C1=CC=CC(c2ccccc2)C1
InChIInChI=1S/C13H11F3/c14-13(15,16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,11H,9H2
InChIKeyGAWBKHLTKOHZEE-UHFFFAOYSA-N
MW224.23 g/mol
LogP4.22
Rot. Bonds1

About [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene

[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene (PubChem CID 175695808) has the molecular formula C13H11F3 and a molecular weight of 224.23 g/mol. Its IUPAC name is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene
PubChem CID175695808
Molecular FormulaC13H11F3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESFC(F)(F)C1=CC=CC(c2ccccc2)C1
InChIInChI=1S/C13H11F3/c14-13(15,16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,11H,9H2
InChIKeyGAWBKHLTKOHZEE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
Isobutylbenzene
CID 10870
M-Cymene
CID 10812

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The IUPAC name of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene (CID 175695808) is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene.
What is the SMILES notation for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The canonical SMILES for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene is FC(F)(F)C1=CC=CC(c2ccccc2)C1.
What is the InChIKey of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The InChIKey is GAWBKHLTKOHZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3/c14-13(15,16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,11H,9H2.
What are the key properties of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene?
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene has a molecular weight of 224.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene is sourced from PubChem (CID 175695808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).