(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol

C8H15F2NO2 — CID 118119210

IUPAC(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@@H](C)C(F)(F)/C=N/OC
InChIInChI=1S/C8H15F2NO2/c1-4-7(12)6(2)8(9,10)5-11-13-3/h5-7,12H,4H2,1-3H3/b11-5+/t6-,7-/m1/s1
InChIKeyBKPMHTOWMWNZAB-MCEFIADZSA-N
MW195.21 g/mol
LogP1.66
Rot. Bonds5

About (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol

(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol (PubChem CID 118119210) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol.

Molecular Properties

Compound Name(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol
PubChem CID118119210
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@@H](C)C(F)(F)/C=N/OC
InChIInChI=1S/C8H15F2NO2/c1-4-7(12)6(2)8(9,10)5-11-13-3/h5-7,12H,4H2,1-3H3/b11-5+/t6-,7-/m1/s1
InChIKeyBKPMHTOWMWNZAB-MCEFIADZSA-N
XLogP1.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.66
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,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol?
The IUPAC name of (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol (CID 118119210) is (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol.
What is the SMILES notation for (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol?
The canonical SMILES for (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol is CC[C@@H](O)[C@@H](C)C(F)(F)/C=N/OC.
What is the InChIKey of (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol?
The InChIKey is BKPMHTOWMWNZAB-MCEFIADZSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-7(12)6(2)8(9,10)5-11-13-3/h5-7,12H,4H2,1-3H3/b11-5+/t6-,7-/m1/s1.
What are the key properties of (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol?
(3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol has a molecular weight of 195.21 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6E)-5,5-difluoro-6-methoxyimino-4-methylhexan-3-ol is sourced from PubChem (CID 118119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).