6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C10H16FNO3 — CID 142734621

IUPAC6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOCC1C(F)C(=O)N2C1COC2(C)C
InChIInChI=1S/C10H16FNO3/c1-10(2)12-7(5-15-10)6(4-14-3)8(11)9(12)13/h6-8H,4-5H2,1-3H3
InChIKeyAFQJHAJZOPBODB-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.56
Rot. Bonds2

About 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142734621) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142734621
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOCC1C(F)C(=O)N2C1COC2(C)C
InChIInChI=1S/C10H16FNO3/c1-10(2)12-7(5-15-10)6(4-14-3)8(11)9(12)13/h6-8H,4-5H2,1-3H3
InChIKeyAFQJHAJZOPBODB-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Related Compounds

6-Butyl-6a-methylhexahydro-5h-furo[2,3-b]pyrrol-5-one
CID 281860
(3S-cis)-(+)-Tetrahydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 853157
(S)-6,6-difluoro-3,3-dimethyl-dihydropyrrolo[1,2-c]oxazol-5(1H,3H,6H)-one
CID 11084673
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414013
3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 495124
(3R,7AS)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CID 928831
(7R,7aS)-7-Ethyl-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 370776
(7aS)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11008405
6,6-difluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 66622708
6-Fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70126276

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 142734621) is 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is COCC1C(F)C(=O)N2C1COC2(C)C.
What is the InChIKey of 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is AFQJHAJZOPBODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-10(2)12-7(5-15-10)6(4-14-3)8(11)9(12)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 217.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142734621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).