3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane

C12H23F2NO — CID 178173041

IUPAC3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane
SMILESCC.CC(C)C1CCC2COC(F)(F)CN21
InChIInChI=1S/C10H17F2NO.C2H6/c1-7(2)9-4-3-8-5-14-10(11,12)6-13(8)9;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyVIPLTESDJKXBIC-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.12
Rot. Bonds1

About 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane

3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane (PubChem CID 178173041) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane.

Molecular Properties

Compound Name3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane
PubChem CID178173041
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane
SMILESCC.CC(C)C1CCC2COC(F)(F)CN21
InChIInChI=1S/C10H17F2NO.C2H6/c1-7(2)9-4-3-8-5-14-10(11,12)6-13(8)9;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyVIPLTESDJKXBIC-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58778702
(1S,3R,5S)-2-(2,2-difluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane
CID 140929478
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
CID 163614757
(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 167216526
2-(Difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine
CID 170771439
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
(3S,8aS)-7,7-difluoro-3-(propan-2-yloxymethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 171769972
2-(1-Fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 175612381
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
(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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane?
The IUPAC name of 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane (CID 178173041) is 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane.
What is the SMILES notation for 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane?
The canonical SMILES for 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane is CC.CC(C)C1CCC2COC(F)(F)CN21.
What is the InChIKey of 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane?
The InChIKey is VIPLTESDJKXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO.C2H6/c1-7(2)9-4-3-8-5-14-10(11,12)6-13(8)9;1-2/h7-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane?
3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane has a molecular weight of 235.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-propan-2-yl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine;ethane is sourced from PubChem (CID 178173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).