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

C8H13FINO3 — CID 88566409

IUPAC(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(\I)CF
InChIInChI=1S/C8H13FINO3/c1-11(14-2)8(13)7(12)4-3-6(10)5-9/h3,7,12H,4-5H2,1-2H3/b6-3-/t7-/m0/s1
InChIKeyWMNLIGOVJHDXLS-NFNQMPKISA-N
MW317.10 g/mol
LogP1.05
Rot. Bonds5

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

(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (PubChem CID 88566409) has the molecular formula C8H13FINO3 and a molecular weight of 317.10 g/mol. Its IUPAC name is (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
PubChem CID88566409
Molecular FormulaC8H13FINO3
Molecular Weight317.10 g/mol
Exact Mass316.99
IUPAC Name(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(\I)CF
InChIInChI=1S/C8H13FINO3/c1-11(14-2)8(13)7(12)4-3-6(10)5-9/h3,7,12H,4-5H2,1-2H3/b6-3-/t7-/m0/s1
InChIKeyWMNLIGOVJHDXLS-NFNQMPKISA-N
XLogP1.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 51.05
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'}

Analyze (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The IUPAC name of (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (CID 88566409) is (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.
What is the SMILES notation for (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The canonical SMILES for (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is CON(C)C(=O)[C@@H](O)C/C=C(\I)CF.
What is the InChIKey of (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The InChIKey is WMNLIGOVJHDXLS-NFNQMPKISA-N. The full InChI is InChI=1S/C8H13FINO3/c1-11(14-2)8(13)7(12)4-3-6(10)5-9/h3,7,12H,4-5H2,1-2H3/b6-3-/t7-/m0/s1.
What are the key properties of (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide has a molecular weight of 317.10 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is sourced from PubChem (CID 88566409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).