(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol

C7H12F2O2 — CID 171582112

IUPAC(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol
SMILESC[C@@H]1CC(F)(F)OC[C@]1(C)O
InChIInChI=1S/C7H12F2O2/c1-5-3-7(8,9)11-4-6(5,2)10/h5,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyBFBDFPXOPKOCKD-RITPCOANSA-N
MW166.17 g/mol
LogP1.39
Rot. Bonds

About (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol

(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol (PubChem CID 171582112) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol
PubChem CID171582112
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol
SMILESC[C@@H]1CC(F)(F)OC[C@]1(C)O
InChIInChI=1S/C7H12F2O2/c1-5-3-7(8,9)11-4-6(5,2)10/h5,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyBFBDFPXOPKOCKD-RITPCOANSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol?
The IUPAC name of (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol (CID 171582112) is (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol.
What is the SMILES notation for (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol?
The canonical SMILES for (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol is C[C@@H]1CC(F)(F)OC[C@]1(C)O.
What is the InChIKey of (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol?
The InChIKey is BFBDFPXOPKOCKD-RITPCOANSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-5-3-7(8,9)11-4-6(5,2)10/h5,10H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol?
(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol has a molecular weight of 166.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol is sourced from PubChem (CID 171582112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).