3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine

C15H19ClF3NO — CID 66848683

IUPAC3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1ccc(C(F)(F)F)cc1Cl)C1CCNC1
InChIInChI=1S/C15H19ClF3NO/c1-9(2)14(10-5-6-20-8-10)21-13-4-3-11(7-12(13)16)15(17,18)19/h3-4,7,9-10,14,20H,5-6,8H2,1-2H3/t10?,14-/m0/s1
InChIKeyDJCITSAZXOPCRM-SBNLOKMTSA-N
MW321.77 g/mol
LogP4.37
Rot. Bonds4

About 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine

3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine (PubChem CID 66848683) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
PubChem CID66848683
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1ccc(C(F)(F)F)cc1Cl)C1CCNC1
InChIInChI=1S/C15H19ClF3NO/c1-9(2)14(10-5-6-20-8-10)21-13-4-3-11(7-12(13)16)15(17,18)19/h3-4,7,9-10,14,20H,5-6,8H2,1-2H3/t10?,14-/m0/s1
InChIKeyDJCITSAZXOPCRM-SBNLOKMTSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]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

3-[1-[4-chloro-2-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848899
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
CID 66854507
(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
3-[1-(2,4-dichlorophenoxy)-3-methylbutyl]pyrrolidine
CID 66871319
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
(3S)-3-[(1S)-1-(2,4-dichlorophenoxy)-2-propan-2-ylsulfanylethyl]pyrrolidine
CID 66848764
[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
CID 162584901
3-[1-(2-chloro-4-methylphenoxy)butyl]pyrrolidine
CID 77164058
(3S)-3-[(1R)-2-propan-2-yloxy-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66859167

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine?
The IUPAC name of 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine (CID 66848683) is 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine.
What is the SMILES notation for 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine?
The canonical SMILES for 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine is CC(C)[C@H](Oc1ccc(C(F)(F)F)cc1Cl)C1CCNC1.
What is the InChIKey of 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine?
The InChIKey is DJCITSAZXOPCRM-SBNLOKMTSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-9(2)14(10-5-6-20-8-10)21-13-4-3-11(7-12(13)16)15(17,18)19/h3-4,7,9-10,14,20H,5-6,8H2,1-2H3/t10?,14-/m0/s1.
What are the key properties of 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine?
3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine has a molecular weight of 321.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 66848683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).