[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone

C14H19F3N2O2 — CID 96525150

IUPAC[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCN(C[C@@H]1CCN(C(=O)c2ccoc2)C1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-2-18(10-14(15,16)17)7-11-3-5-19(8-11)13(20)12-4-6-21-9-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyJLOKWPKLLAZGSQ-NSHDSACASA-N
MW304.31 g/mol
LogP2.63
Rot. Bonds5

About [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone

[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 96525150) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID96525150
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCN(C[C@@H]1CCN(C(=O)c2ccoc2)C1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-2-18(10-14(15,16)17)7-11-3-5-19(8-11)13(20)12-4-6-21-9-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyJLOKWPKLLAZGSQ-NSHDSACASA-N
XLogP2.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 96525150) is [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone is CCN(C[C@@H]1CCN(C(=O)c2ccoc2)C1)CC(F)(F)F.
What is the InChIKey of [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is JLOKWPKLLAZGSQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-18(10-14(15,16)17)7-11-3-5-19(8-11)13(20)12-4-6-21-9-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 304.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 96525150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).