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

C12H12Cl2F3N — CID 123384322

IUPAC3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCN1CCC(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
InChIKeyRGBKMVNRNXIKQR-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.13
Rot. Bonds1

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

3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 123384322) has the molecular formula C12H12Cl2F3N and a molecular weight of 298.13 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
PubChem CID123384322
Molecular FormulaC12H12Cl2F3N
Molecular Weight298.13 g/mol
Exact Mass297.03
IUPAC Name3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine
SMILESCN1CCC(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
InChIKeyRGBKMVNRNXIKQR-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine (CID 123384322) is 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine is CN1CCC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is RGBKMVNRNXIKQR-UHFFFAOYSA-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.
What are the key properties of 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine?
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 3-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 123384322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).