cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone

C13H13F3O — CID 175669825

IUPACcyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)C2CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3O/c1-8-5-6-10(7-11(8)13(14,15)16)12(17)9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyALHQYYPQGSWKLR-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.00
Rot. Bonds2

About cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone

cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 175669825) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
PubChem CID175669825
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Namecyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)C2CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3O/c1-8-5-6-10(7-11(8)13(14,15)16)12(17)9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyALHQYYPQGSWKLR-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 171949843
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949893
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
cis-(1S,3R)-3-(3,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
CID 53471360
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949677
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949885

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone (CID 175669825) is cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)C2CCC2)cc1C(F)(F)F.
What is the InChIKey of cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ALHQYYPQGSWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-8-5-6-10(7-11(8)13(14,15)16)12(17)9-3-2-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 242.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 175669825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).