(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol

C7H12F2O4 — CID 54763879

IUPAC(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
SMILESCO[C@@H]1C[C@@H](O)C(F)(F)[C@@H](CO)O1
InChIInChI=1S/C7H12F2O4/c1-12-6-2-4(11)7(8,9)5(3-10)13-6/h4-6,10-11H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyCJHSBYOQWWYIFV-PBXRRBTRSA-N
MW198.16 g/mol
LogP-0.26
Rot. Bonds2

About (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol

(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol (PubChem CID 54763879) has the molecular formula C7H12F2O4 and a molecular weight of 198.16 g/mol. Its IUPAC name is (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
PubChem CID54763879
Molecular FormulaC7H12F2O4
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Name(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
SMILESCO[C@@H]1C[C@@H](O)C(F)(F)[C@@H](CO)O1
InChIInChI=1S/C7H12F2O4/c1-12-6-2-4(11)7(8,9)5(3-10)13-6/h4-6,10-11H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyCJHSBYOQWWYIFV-PBXRRBTRSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142172439
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
CID 162599261
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(2R,3aR,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4,5-diol
CID 10511417
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol?
The IUPAC name of (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol (CID 54763879) is (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol?
The canonical SMILES for (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol is CO[C@@H]1C[C@@H](O)C(F)(F)[C@@H](CO)O1.
What is the InChIKey of (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol?
The InChIKey is CJHSBYOQWWYIFV-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H12F2O4/c1-12-6-2-4(11)7(8,9)5(3-10)13-6/h4-6,10-11H,2-3H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol?
(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol has a molecular weight of 198.16 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol is sourced from PubChem (CID 54763879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).