[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol

C8H13F2NO2 — CID 165405634

IUPAC[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
SMILESOC[C@@H]1CC[C@H]2COC(F)(F)CN12
InChIInChI=1S/C8H13F2NO2/c9-8(10)5-11-6(3-12)1-2-7(11)4-13-8/h6-7,12H,1-5H2/t6-,7-/m0/s1
InChIKeyCDCBCTHOCPGDRK-BQBZGAKWSA-N
MW193.19 g/mol
LogP0.43
Rot. Bonds1

About [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol

[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol (PubChem CID 165405634) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol.

Molecular Properties

Compound Name[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
PubChem CID165405634
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
SMILESOC[C@@H]1CC[C@H]2COC(F)(F)CN12
InChIInChI=1S/C8H13F2NO2/c9-8(10)5-11-6(3-12)1-2-7(11)4-13-8/h6-7,12H,1-5H2/t6-,7-/m0/s1
InChIKeyCDCBCTHOCPGDRK-BQBZGAKWSA-N
XLogP0.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol?
The IUPAC name of [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol (CID 165405634) is [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol.
What is the SMILES notation for [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol?
The canonical SMILES for [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol is OC[C@@H]1CC[C@H]2COC(F)(F)CN12.
What is the InChIKey of [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol?
The InChIKey is CDCBCTHOCPGDRK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)5-11-6(3-12)1-2-7(11)4-13-8/h6-7,12H,1-5H2/t6-,7-/m0/s1.
What are the key properties of [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol?
[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol has a molecular weight of 193.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol is sourced from PubChem (CID 165405634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).