(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine

C16H22F3N — CID 175550564

IUPAC(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESC[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C
InChIInChI=1S/C16H22F3N/c1-11-9-13(10-20(11)15(2,3)4)12-5-7-14(8-6-12)16(17,18)19/h5-8,11,13H,9-10H2,1-4H3/t11-,13?/m1/s1
InChIKeyWYWBEGONUICWHG-JTDNENJMSA-N
MW285.35 g/mol
LogP4.68
Rot. Bonds1

About (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine

(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 175550564) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID175550564
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESC[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C
InChIInChI=1S/C16H22F3N/c1-11-9-13(10-20(11)15(2,3)4)12-5-7-14(8-6-12)16(17,18)19/h5-8,11,13H,9-10H2,1-4H3/t11-,13?/m1/s1
InChIKeyWYWBEGONUICWHG-JTDNENJMSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide
CID 175101882
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 174973052
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
5-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 175777425
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 156800900
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene
CID 23635560

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 175550564) is (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine is C[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WYWBEGONUICWHG-JTDNENJMSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-9-13(10-20(11)15(2,3)4)12-5-7-14(8-6-12)16(17,18)19/h5-8,11,13H,9-10H2,1-4H3/t11-,13?/m1/s1.
What are the key properties of (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 285.35 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 175550564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).