(2S,6R)-4-fluoro-2,6-dimethyloxane

C7H13FO — CID 134838970

IUPAC(2S,6R)-4-fluoro-2,6-dimethyloxane
SMILESC[C@@H]1CC(F)C[C@H](C)O1
InChIInChI=1S/C7H13FO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyWVEIAQZTUOFAKI-MEKDEQNOSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds

About (2S,6R)-4-fluoro-2,6-dimethyloxane

(2S,6R)-4-fluoro-2,6-dimethyloxane (PubChem CID 134838970) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S,6R)-4-fluoro-2,6-dimethyloxane.

Molecular Properties

Compound Name(2S,6R)-4-fluoro-2,6-dimethyloxane
PubChem CID134838970
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(2S,6R)-4-fluoro-2,6-dimethyloxane
SMILESC[C@@H]1CC(F)C[C@H](C)O1
InChIInChI=1S/C7H13FO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyWVEIAQZTUOFAKI-MEKDEQNOSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-fluoro-2,6-dimethyloxane?
The IUPAC name of (2S,6R)-4-fluoro-2,6-dimethyloxane (CID 134838970) is (2S,6R)-4-fluoro-2,6-dimethyloxane.
What is the SMILES notation for (2S,6R)-4-fluoro-2,6-dimethyloxane?
The canonical SMILES for (2S,6R)-4-fluoro-2,6-dimethyloxane is C[C@@H]1CC(F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-fluoro-2,6-dimethyloxane?
The InChIKey is WVEIAQZTUOFAKI-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H13FO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6+,7?.
What are the key properties of (2S,6R)-4-fluoro-2,6-dimethyloxane?
(2S,6R)-4-fluoro-2,6-dimethyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-fluoro-2,6-dimethyloxane is sourced from PubChem (CID 134838970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).