2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine

C18H18F3NO2 — CID 21364515

IUPAC2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
SMILESCc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1
InChIInChI=1S/C18H18F3NO2/c1-12-4-9-17(15(11-12)16-3-2-10-22-16)23-13-5-7-14(8-6-13)24-18(19,20)21/h4-9,11,16,22H,2-3,10H2,1H3
InChIKeyRVUQWHNUUJVTBM-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.11
Rot. Bonds4

About 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine

2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine (PubChem CID 21364515) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
PubChem CID21364515
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
SMILESCc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1
InChIInChI=1S/C18H18F3NO2/c1-12-4-9-17(15(11-12)16-3-2-10-22-16)23-13-5-7-14(8-6-13)24-18(19,20)21/h4-9,11,16,22H,2-3,10H2,1H3
InChIKeyRVUQWHNUUJVTBM-UHFFFAOYSA-N
XLogP5.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]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

(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine (CID 21364515) is 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine is Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine?
The InChIKey is RVUQWHNUUJVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12-4-9-17(15(11-12)16-3-2-10-22-16)23-13-5-7-14(8-6-13)24-18(19,20)21/h4-9,11,16,22H,2-3,10H2,1H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine?
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine has a molecular weight of 337.34 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine is sourced from PubChem (CID 21364515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).