(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C10H16FNO3 — CID 118414610

IUPAC(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOC[C@]1(F)C[C@H]2COC(C)(C)N2C1=O
InChIInChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKeyGVNGTYYTLLPIIG-OIBJUYFYSA-N
MW217.24 g/mol
LogP0.71
Rot. Bonds2

About (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 118414610) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID118414610
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOC[C@]1(F)C[C@H]2COC(C)(C)N2C1=O
InChIInChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKeyGVNGTYYTLLPIIG-OIBJUYFYSA-N
XLogP0.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 118414610) is (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is COC[C@]1(F)C[C@H]2COC(C)(C)N2C1=O.
What is the InChIKey of (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is GVNGTYYTLLPIIG-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3/t7-,10+/m0/s1.
What are the key properties of (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 217.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aS)-6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 118414610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).