(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one

C9H10F3NO2 — CID 11470069

IUPAC(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one
SMILESC=CCN[C@H]([C@H]1C=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-2-5-13-8(9(10,11)12)6-3-4-7(14)15-6/h2-4,6,8,13H,1,5H2/t6-,8-/m1/s1
InChIKeyWEVRKLBQWGIHFA-HTRCEHHLSA-N
MW221.18 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one

(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one (PubChem CID 11470069) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one
PubChem CID11470069
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one
SMILESC=CCN[C@H]([C@H]1C=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-2-5-13-8(9(10,11)12)6-3-4-7(14)15-6/h2-4,6,8,13H,1,5H2/t6-,8-/m1/s1
InChIKeyWEVRKLBQWGIHFA-HTRCEHHLSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one (CID 11470069) is (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one is C=CCN[C@H]([C@H]1C=CC(=O)O1)C(F)(F)F.
What is the InChIKey of (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one?
The InChIKey is WEVRKLBQWGIHFA-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-2-5-13-8(9(10,11)12)6-3-4-7(14)15-6/h2-4,6,8,13H,1,5H2/t6-,8-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one?
(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one has a molecular weight of 221.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one is sourced from PubChem (CID 11470069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).