(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one

C10H10F3NO2 — CID 6389115

IUPAC(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one
SMILESC/C(=C\C(=O)C(F)(F)F)NCc1ccco1
InChIInChI=1S/C10H10F3NO2/c1-7(5-9(15)10(11,12)13)14-6-8-3-2-4-16-8/h2-5,14H,6H2,1H3/b7-5+
InChIKeyOBAJKUACAMXKJC-FNORWQNLSA-N
MW233.19 g/mol
LogP2.40
Rot. Bonds4

About (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one

(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one (PubChem CID 6389115) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one
PubChem CID6389115
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one
SMILESC/C(=C\C(=O)C(F)(F)F)NCc1ccco1
InChIInChI=1S/C10H10F3NO2/c1-7(5-9(15)10(11,12)13)14-6-8-3-2-4-16-8/h2-5,14H,6H2,1H3/b7-5+
InChIKeyOBAJKUACAMXKJC-FNORWQNLSA-N
XLogP2.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one?
The IUPAC name of (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one (CID 6389115) is (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one is C/C(=C\C(=O)C(F)(F)F)NCc1ccco1.
What is the InChIKey of (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one?
The InChIKey is OBAJKUACAMXKJC-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-7(5-9(15)10(11,12)13)14-6-8-3-2-4-16-8/h2-5,14H,6H2,1H3/b7-5+.
What are the key properties of (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one?
(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one has a molecular weight of 233.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one is sourced from PubChem (CID 6389115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).