(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine

C16H21F3N2 — CID 52878093

IUPAC(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cccc(CN2CC[C@H](N3CCCC3)C2)c1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-20-9-6-15(12-20)21-7-1-2-8-21/h3-5,10,15H,1-2,6-9,11-12H2/t15-/m0/s1
InChIKeyWGRRWEGLTNDWPS-HNNXBMFYSA-N
MW298.35 g/mol
LogP3.38
Rot. Bonds3

About (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine

(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 52878093) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID52878093
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cccc(CN2CC[C@H](N3CCCC3)C2)c1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-20-9-6-15(12-20)21-7-1-2-8-21/h3-5,10,15H,1-2,6-9,11-12H2/t15-/m0/s1
InChIKeyWGRRWEGLTNDWPS-HNNXBMFYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 52878093) is (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine is FC(F)(F)c1cccc(CN2CC[C@H](N3CCCC3)C2)c1.
What is the InChIKey of (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is WGRRWEGLTNDWPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-20-9-6-15(12-20)21-7-1-2-8-21/h3-5,10,15H,1-2,6-9,11-12H2/t15-/m0/s1.
What are the key properties of (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 298.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 52878093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).