3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C9H15F2NO — CID 177326115

IUPAC3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CCC2COC(F)(F)CN21
InChIInChI=1S/C9H15F2NO/c1-8(2)4-3-7-5-13-9(10,11)6-12(7)8/h7H,3-6H2,1-2H3
InChIKeyPERMOUKSJNQFBH-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.85
Rot. Bonds

About 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 177326115) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID177326115
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CCC2COC(F)(F)CN21
InChIInChI=1S/C9H15F2NO/c1-8(2)4-3-7-5-13-9(10,11)6-12(7)8/h7H,3-6H2,1-2H3
InChIKeyPERMOUKSJNQFBH-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

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Related Compounds

6-Methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117608592
(6R)-6-methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117814010
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
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-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane
CID 178173041
(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130610139
3,3-Difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 177326543
6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 147105096
8a-Methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 166929202
(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 170362515
6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 174251327
6,6-Dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 177326112

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 177326115) is 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC1(C)CCC2COC(F)(F)CN21.
What is the InChIKey of 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is PERMOUKSJNQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-8(2)4-3-7-5-13-9(10,11)6-12(7)8/h7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 191.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).