cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone

C12H10F4O — CID 175669824

IUPACcyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1F)C1CCC1
InChIInChI=1S/C12H10F4O/c13-10-6-8(12(14,15)16)4-5-9(10)11(17)7-2-1-3-7/h4-7H,1-3H2
InChIKeyVMYWIJDCISBXDX-UHFFFAOYSA-N
MW246.20 g/mol
LogP3.83
Rot. Bonds2

About cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone

cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 175669824) has the molecular formula C12H10F4O and a molecular weight of 246.20 g/mol. Its IUPAC name is cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID175669824
Molecular FormulaC12H10F4O
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Namecyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1F)C1CCC1
InChIInChI=1S/C12H10F4O/c13-10-6-8(12(14,15)16)4-5-9(10)11(17)7-2-1-3-7/h4-7H,1-3H2
InChIKeyVMYWIJDCISBXDX-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949519
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 146008834
4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
CID 23112413
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
CID 67091808
CID 67091808
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide
CID 63181253
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 175669824) is cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1F)C1CCC1.
What is the InChIKey of cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is VMYWIJDCISBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O/c13-10-6-8(12(14,15)16)4-5-9(10)11(17)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone?
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 246.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 175669824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).