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

C8H11F3INO2 — CID 59097702

IUPAC(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide
SMILESCN(C)C(=O)[C@@H](O)C/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H11F3INO2/c1-13(2)7(15)5(14)3-4-6(12)8(9,10)11/h4-5,14H,3H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyINVZDLACVSKVRK-YIWIKUPCSA-N
MW337.08 g/mol
LogP1.71
Rot. Bonds3

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

(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide (PubChem CID 59097702) has the molecular formula C8H11F3INO2 and a molecular weight of 337.08 g/mol. Its IUPAC name is (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide.

Molecular Properties

Compound Name(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide
PubChem CID59097702
Molecular FormulaC8H11F3INO2
Molecular Weight337.08 g/mol
Exact Mass336.98
IUPAC Name(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide
SMILESCN(C)C(=O)[C@@H](O)C/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H11F3INO2/c1-13(2)7(15)5(14)3-4-6(12)8(9,10)11/h4-5,14H,3H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyINVZDLACVSKVRK-YIWIKUPCSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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,N-dimethylhex-4-enamide?
The IUPAC name of (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide (CID 59097702) is (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide.
What is the SMILES notation for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide?
The canonical SMILES for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide is CN(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,N-dimethylhex-4-enamide?
The InChIKey is INVZDLACVSKVRK-YIWIKUPCSA-N. The full InChI is InChI=1S/C8H11F3INO2/c1-13(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,N-dimethylhex-4-enamide?
(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide has a molecular weight of 337.08 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide is sourced from PubChem (CID 59097702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).