(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine

C14H15F6N — CID 6928964

IUPAC(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
SMILESC[C@@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h5-9H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyBIGIDVKLCANQOW-RKDXNWHRSA-N
MW311.27 g/mol
LogP5.10
Rot. Bonds1

About (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine

(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine (PubChem CID 6928964) has the molecular formula C14H15F6N and a molecular weight of 311.27 g/mol. Its IUPAC name is (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
PubChem CID6928964
Molecular FormulaC14H15F6N
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
SMILESC[C@@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h5-9H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyBIGIDVKLCANQOW-RKDXNWHRSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.27
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine 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

(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethylpiperazine
CID 58938270
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 70841197
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2807570
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 116700846
3-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 66737826
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane
CID 142034208
(2R,5R)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
CID 7148191

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine?
The IUPAC name of (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine (CID 6928964) is (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine?
The canonical SMILES for (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine is C[C@@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine?
The InChIKey is BIGIDVKLCANQOW-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H15F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h5-9H,3-4H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine?
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine has a molecular weight of 311.27 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine is sourced from PubChem (CID 6928964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).