(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one

C7H10F3NO2 — CID 24786467

IUPAC(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one
SMILESC/C(=C/C(=O)C(F)(F)F)NCCO
InChIInChI=1S/C7H10F3NO2/c1-5(11-2-3-12)4-6(13)7(8,9)10/h4,11-12H,2-3H2,1H3/b5-4-
InChIKeyWFIMEOOAHSGHMX-PLNGDYQASA-N
MW197.16 g/mol
LogP0.60
Rot. Bonds4

About (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one

(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one (PubChem CID 24786467) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one
PubChem CID24786467
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one
SMILESC/C(=C/C(=O)C(F)(F)F)NCCO
InChIInChI=1S/C7H10F3NO2/c1-5(11-2-3-12)4-6(13)7(8,9)10/h4,11-12H,2-3H2,1H3/b5-4-
InChIKeyWFIMEOOAHSGHMX-PLNGDYQASA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one (CID 24786467) is (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one is C/C(=C/C(=O)C(F)(F)F)NCCO.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one?
The InChIKey is WFIMEOOAHSGHMX-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5(11-2-3-12)4-6(13)7(8,9)10/h4,11-12H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one is sourced from PubChem (CID 24786467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).