3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine

C14H18F3NO — CID 79460177

IUPAC3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
SMILESCc1cccc(C2(CCOCC(F)(F)F)CNC2)c1
InChIInChI=1S/C14H18F3NO/c1-11-3-2-4-12(7-11)13(8-18-9-13)5-6-19-10-14(15,16)17/h2-4,7,18H,5-6,8-10H2,1H3
InChIKeyZVICBPWBIYXGAL-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.81
Rot. Bonds5

About 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine

3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine (PubChem CID 79460177) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
PubChem CID79460177
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
SMILESCc1cccc(C2(CCOCC(F)(F)F)CNC2)c1
InChIInChI=1S/C14H18F3NO/c1-11-3-2-4-12(7-11)13(8-18-9-13)5-6-19-10-14(15,16)17/h2-4,7,18H,5-6,8-10H2,1H3
InChIKeyZVICBPWBIYXGAL-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine 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

{4-[3-(Trifluoromethyl)phenyl]oxan-4-yl}methanamine
CID 43119072
2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine
CID 45237952
3-(Methoxymethyl)-3-phenylazetidine hydrochloride
CID 121553340
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 56819005
4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823613
4-Propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823700
4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823782
4-Methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823789
N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823794
N,N-dimethyl-4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823885
2-[3-(trifluoromethyl)phenyl]-N-(2-undecoxyethyl)ethanamine
CID 22091483
4-Propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 53643455

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The IUPAC name of 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine (CID 79460177) is 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine.
What is the SMILES notation for 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The canonical SMILES for 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine is Cc1cccc(C2(CCOCC(F)(F)F)CNC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The InChIKey is ZVICBPWBIYXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-11-3-2-4-12(7-11)13(8-18-9-13)5-6-19-10-14(15,16)17/h2-4,7,18H,5-6,8-10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine has a molecular weight of 273.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine is sourced from PubChem (CID 79460177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).