(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine

C13H15F4N — CID 71250303

IUPAC(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-6-2-3-10(18)7-9-4-5-11(12(14)8-9)13(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeyOAPHCBMIPSDIFP-SNVBAGLBSA-N
MW261.26 g/mol
LogP3.48
Rot. Bonds2

About (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine

(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine (PubChem CID 71250303) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
PubChem CID71250303
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-6-2-3-10(18)7-9-4-5-11(12(14)8-9)13(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeyOAPHCBMIPSDIFP-SNVBAGLBSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
CID 143375714
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 106026915
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 173469715
[2-acetyloxy-4-[(1-methylpyrrolidin-2-yl)methyl]phenyl] acetate
CID 23452567
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole
CID 22732022
N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
CID 23452543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine (CID 71250303) is (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine is CN1CCC[C@@H]1Cc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine?
The InChIKey is OAPHCBMIPSDIFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F4N/c1-18-6-2-3-10(18)7-9-4-5-11(12(14)8-9)13(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine?
(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine has a molecular weight of 261.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 71250303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).