2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3NO — CID 117270769

IUPAC2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOCC1(C)CC(c2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C14H18F3NO/c1-13(9-19-2)7-11(8-18-13)10-4-3-5-12(6-10)14(15,16)17/h3-6,11,18H,7-9H2,1-2H3
InChIKeyIORIXQLUMIZYIQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.19
Rot. Bonds3

About 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine

2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 117270769) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID117270769
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOCC1(C)CC(c2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C14H18F3NO/c1-13(9-19-2)7-11(8-18-13)10-4-3-5-12(6-10)14(15,16)17/h3-6,11,18H,7-9H2,1-2H3
InChIKeyIORIXQLUMIZYIQ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine 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

2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine
CID 117270776
3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 121207524
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
methyl (3S,5R)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 97053978
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 117270769) is 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine is COCC1(C)CC(c2cccc(C(F)(F)F)c2)CN1.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is IORIXQLUMIZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(9-19-2)7-11(8-18-13)10-4-3-5-12(6-10)14(15,16)17/h3-6,11,18H,7-9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117270769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).