(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one

C15H16F3NO2 — CID 56833980

IUPAC(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1[C@@H](N[C@@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-9-8-12(20)21-13(9)14(15(16,17)18)19-10(2)11-6-4-3-5-7-11/h3-8,10,13-14,19H,1-2H3/t10-,13+,14+/m0/s1
InChIKeyNFPFXGQPDDLCOF-ZLKJLUDKSA-N
MW299.29 g/mol
LogP3.14
Rot. Bonds4

About (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one

(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one (PubChem CID 56833980) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one
PubChem CID56833980
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1[C@@H](N[C@@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-9-8-12(20)21-13(9)14(15(16,17)18)19-10(2)11-6-4-3-5-7-11/h3-8,10,13-14,19H,1-2H3/t10-,13+,14+/m0/s1
InChIKeyNFPFXGQPDDLCOF-ZLKJLUDKSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one?
The IUPAC name of (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one (CID 56833980) is (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one is CC1=CC(=O)O[C@H]1[C@@H](N[C@@H](C)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one?
The InChIKey is NFPFXGQPDDLCOF-ZLKJLUDKSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-9-8-12(20)21-13(9)14(15(16,17)18)19-10(2)11-6-4-3-5-7-11/h3-8,10,13-14,19H,1-2H3/t10-,13+,14+/m0/s1.
What are the key properties of (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one?
(2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one has a molecular weight of 299.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one is sourced from PubChem (CID 56833980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).