(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine

C12H12Cl2F3N — CID 89493463

IUPAC(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCN1CC[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C12H12Cl2F3N/c1-18-3-2-11(7-18,12(15,16)17)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3/t11-/m0/s1
InChIKeyRGBKMVNRNXIKQR-NSHDSACASA-N
MW298.13 g/mol
LogP4.13
Rot. Bonds1

About (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine

(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 89493463) has the molecular formula C12H12Cl2F3N and a molecular weight of 298.13 g/mol. Its IUPAC name is (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
PubChem CID89493463
Molecular FormulaC12H12Cl2F3N
Molecular Weight298.13 g/mol
Exact Mass297.03
IUPAC Name(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCN1CC[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C12H12Cl2F3N/c1-18-3-2-11(7-18,12(15,16)17)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3/t11-/m0/s1
InChIKeyRGBKMVNRNXIKQR-NSHDSACASA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine (CID 89493463) is (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine is CN1CC[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is RGBKMVNRNXIKQR-NSHDSACASA-N. The full InChI is InChI=1S/C12H12Cl2F3N/c1-18-3-2-11(7-18,12(15,16)17)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
(3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 298.13 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 89493463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).