cyclopropyl-[2-(trifluoromethyl)phenyl]methanone

C11H9F3O — CID 24724101

IUPACcyclopropyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h1-4,7H,5-6H2
InChIKeyGLQVXMURVDLEDP-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.30
Rot. Bonds2

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

cyclopropyl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 24724101) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is cyclopropyl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID24724101
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namecyclopropyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h1-4,7H,5-6H2
InChIKeyGLQVXMURVDLEDP-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopropyl-[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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[2-(trifluoromethyl)phenyl]methanone (CID 24724101) is cyclopropyl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of cyclopropyl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GLQVXMURVDLEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of cyclopropyl-[2-(trifluoromethyl)phenyl]methanone?
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 214.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24724101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).