cyclobutyl-[2-(trifluoromethyl)phenyl]methanone

C12H11F3O — CID 24724140

IUPACcyclobutyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H11F3O/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyKSQNQLBPNZLZQU-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.69
Rot. Bonds2

About cyclobutyl-[2-(trifluoromethyl)phenyl]methanone

cyclobutyl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 24724140) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is cyclobutyl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID24724140
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Namecyclobutyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H11F3O/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyKSQNQLBPNZLZQU-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclobutyl-[2-(trifluoromethyl)phenyl]methanone 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

cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 171941524
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 146008834
6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172316
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxylic acid
CID 69400274
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
1-cyclopropyl-4-[2-(trifluoromethyl)phenyl]but-2-ene-1,4-dione
CID 150576396
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949569
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclobutyl-[2-(trifluoromethyl)phenyl]methanone (CID 24724140) is cyclobutyl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclobutyl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is KSQNQLBPNZLZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8H,3-5H2.
What are the key properties of cyclobutyl-[2-(trifluoromethyl)phenyl]methanone?
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 228.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24724140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).