cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone

C14H15F3O2 — CID 82262902

IUPACcyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
SMILESCCCOc1ccc(C(F)(F)F)cc1C(=O)C1CC1
InChIInChI=1S/C14H15F3O2/c1-2-7-19-12-6-5-10(14(15,16)17)8-11(12)13(18)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJENHYSBFYGHXKS-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.09
Rot. Bonds5

About cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone

cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone (PubChem CID 82262902) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
PubChem CID82262902
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namecyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
SMILESCCCOc1ccc(C(F)(F)F)cc1C(=O)C1CC1
InChIInChI=1S/C14H15F3O2/c1-2-7-19-12-6-5-10(14(15,16)17)8-11(12)13(18)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJENHYSBFYGHXKS-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-propoxy-5-(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-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
4-oxo-4-[2-propoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262879
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
CID 114157343
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
2-(3,3-dimethylbutoxy)-5-(trifluoromethyl)benzoic acid
CID 66225523
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone (CID 82262902) is cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone is CCCOc1ccc(C(F)(F)F)cc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is JENHYSBFYGHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-2-7-19-12-6-5-10(14(15,16)17)8-11(12)13(18)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone?
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 272.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 82262902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).