(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

C8H11F3INO3 — CID 88983224

IUPAC(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H11F3INO3/c1-13(16-2)7(15)5(14)3-4-6(12)8(9,10)11/h4-5,14H,3H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyCAXQIJKHHSABDE-YIWIKUPCSA-N
MW353.08 g/mol
LogP1.64
Rot. Bonds4

About (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (PubChem CID 88983224) has the molecular formula C8H11F3INO3 and a molecular weight of 353.08 g/mol. Its IUPAC name is (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
PubChem CID88983224
Molecular FormulaC8H11F3INO3
Molecular Weight353.08 g/mol
Exact Mass352.97
IUPAC Name(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H11F3INO3/c1-13(16-2)7(15)5(14)3-4-6(12)8(9,10)11/h4-5,14H,3H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyCAXQIJKHHSABDE-YIWIKUPCSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The IUPAC name of (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (CID 88983224) is (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.
What is the SMILES notation for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The canonical SMILES for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is CON(C)C(=O)[C@@H](O)C/C=C(\I)C(F)(F)F.
What is the InChIKey of (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The InChIKey is CAXQIJKHHSABDE-YIWIKUPCSA-N. The full InChI is InChI=1S/C8H11F3INO3/c1-13(16-2)7(15)5(14)3-4-6(12)8(9,10)11/h4-5,14H,3H2,1-2H3/b6-4-/t5-/m0/s1.
What are the key properties of (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide has a molecular weight of 353.08 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is sourced from PubChem (CID 88983224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).