[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C13H15F3N2O2 — CID 172646299

IUPAC[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCN[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-17-9-6-7-18(8-9)12(19)10-4-2-3-5-11(10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1
InChIKeyZRUSXJLWROKNKQ-SECBINFHSA-N
MW288.27 g/mol
LogP2.02
Rot. Bonds3

About [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 172646299) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID172646299
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCN[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-17-9-6-7-18(8-9)12(19)10-4-2-3-5-11(10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1
InChIKeyZRUSXJLWROKNKQ-SECBINFHSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 172646299) is [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is CN[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ZRUSXJLWROKNKQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-17-9-6-7-18(8-9)12(19)10-4-2-3-5-11(10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 288.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 172646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).