2-(trifluoromethyl)cyclohexa-2,4-dien-1-one

C7H5F3O — CID 23345918

IUPAC2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1C(F)(F)F
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-3H,4H2
InChIKeyFMAWIVQAUROWPC-UHFFFAOYSA-N
MW162.11 g/mol
LogP2.00
Rot. Bonds

About 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one

2-(trifluoromethyl)cyclohexa-2,4-dien-1-one (PubChem CID 23345918) has the molecular formula C7H5F3O and a molecular weight of 162.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
PubChem CID23345918
Molecular FormulaC7H5F3O
Molecular Weight162.11 g/mol
Exact Mass162.03
IUPAC Name2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1C(F)(F)F
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-3H,4H2
InChIKeyFMAWIVQAUROWPC-UHFFFAOYSA-N
XLogP2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

o-Quinomethane
CID 13265823
2-(Trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
CID 13501623
2,4-Cyclohexadien-1-one, 6-carbonyl-
CID 140801
Difluorocyclohexadienone
CID 69730790
4-(Trifluoromethyl)-3,5-cyclohexadiene-1,2-dione
CID 102183809
3,5-Dimethyl-2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
CID 129291540
Trifluortoluchinon
CID 129628663
1-(Trifluoroacetyl)-1,4-cyclohexadiene
CID 45080787
4-(Difluoromethylidene)cyclohexa-2,5-dien-1-one
CID 71353476
4-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)cyclohexa-2,5-dien-1-one
CID 101018509
4-Fluoro-6-methylidenecyclohexa-2,4-dien-1-one
CID 102102930
4,4,5,5-Tetrafluoro-1-phenylbut-2-en-1-one
CID 129767657

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one (CID 23345918) is 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one is O=C1CC=CC=C1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is FMAWIVQAUROWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-3H,4H2.
What are the key properties of 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
2-(trifluoromethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 162.11 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 23345918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).