[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite

C7H13FO2 — CID 142848117

IUPAC[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite
SMILESC[C@@H]1C[C@H](OF)O[C@H](C)C1
InChIInChI=1S/C7H13FO2/c1-5-3-6(2)9-7(4-5)10-8/h5-7H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZJIAOPCHJVEJNU-XVMARJQXSA-N
MW148.18 g/mol
LogP2.05
Rot. Bonds1

About [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite

[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite (PubChem CID 142848117) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite.

Molecular Properties

Compound Name[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite
PubChem CID142848117
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite
SMILESC[C@@H]1C[C@H](OF)O[C@H](C)C1
InChIInChI=1S/C7H13FO2/c1-5-3-6(2)9-7(4-5)10-8/h5-7H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZJIAOPCHJVEJNU-XVMARJQXSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite?
The IUPAC name of [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite (CID 142848117) is [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite.
What is the SMILES notation for [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite?
The canonical SMILES for [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite is C[C@@H]1C[C@H](OF)O[C@H](C)C1.
What is the InChIKey of [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite?
The InChIKey is ZJIAOPCHJVEJNU-XVMARJQXSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5-3-6(2)9-7(4-5)10-8/h5-7H,3-4H2,1-2H3/t5-,6+,7-/m0/s1.
What are the key properties of [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite?
[(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite has a molecular weight of 148.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,6R)-4,6-dimethyloxan-2-yl] hypofluorite is sourced from PubChem (CID 142848117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).