(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol

C8H16FNO2 — CID 157213370

IUPAC(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@@H](C)[C@H](F)C=NOC
InChIInChI=1S/C8H16FNO2/c1-4-8(11)6(2)7(9)5-10-12-3/h5-8,11H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyZTEMOFVKQQDKAD-XLPZGREQSA-N
MW177.22 g/mol
LogP1.36
Rot. Bonds5

About (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol

(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol (PubChem CID 157213370) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol
PubChem CID157213370
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@@H](C)[C@H](F)C=NOC
InChIInChI=1S/C8H16FNO2/c1-4-8(11)6(2)7(9)5-10-12-3/h5-8,11H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyZTEMOFVKQQDKAD-XLPZGREQSA-N
XLogP1.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol?
The IUPAC name of (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol (CID 157213370) is (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol.
What is the SMILES notation for (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol?
The canonical SMILES for (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol is CC[C@@H](O)[C@@H](C)[C@H](F)C=NOC.
What is the InChIKey of (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol?
The InChIKey is ZTEMOFVKQQDKAD-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-4-8(11)6(2)7(9)5-10-12-3/h5-8,11H,4H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol?
(3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol has a molecular weight of 177.22 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-fluoro-6-methoxyimino-4-methylhexan-3-ol is sourced from PubChem (CID 157213370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).