3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

C8H13F2NO — CID 177326543

IUPAC3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1CCC2COC(F)(F)CN12
InChIInChI=1S/C8H13F2NO/c1-6-2-3-7-4-12-8(9,10)5-11(6)7/h6-7H,2-5H2,1H3
InChIKeyDSUAOAIAJHSPCR-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.46
Rot. Bonds

About 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 177326543) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
PubChem CID177326543
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1CCC2COC(F)(F)CN12
InChIInChI=1S/C8H13F2NO/c1-6-2-3-7-4-12-8(9,10)5-11(6)7/h6-7H,2-5H2,1H3
InChIKeyDSUAOAIAJHSPCR-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine with MolForge

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Related Compounds

6,6-Difluoro-8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 132156066
6,7-Difluoro-8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 137453683
[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
CID 165405634
2-(Methoxymethyl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 168880763
(3S,8aS)-7,7-difluoro-3-(propan-2-yloxymethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 171769972
(3S,8aS)-3-(disulfanyloxymethyl)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 175637068
3,3-Difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 176712629
3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177326115
3,3-Difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane
CID 178173041
(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 134894766
(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130610139
6,6-Difluoro-8-methanidyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 145770869

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (CID 177326543) is 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is CC1CCC2COC(F)(F)CN12.
What is the InChIKey of 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is DSUAOAIAJHSPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6-2-3-7-4-12-8(9,10)5-11(6)7/h6-7H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine has a molecular weight of 177.19 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177326543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).