(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

C9H15F2NO — CID 130610139

IUPAC(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFC(F)CN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C9H15F2NO/c10-9(11)4-12-3-1-2-7-5-13-6-8(7)12/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyVOGCQEKBRZPBDE-JGVFFNPUSA-N
MW191.22 g/mol
LogP1.36
Rot. Bonds2

About (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (PubChem CID 130610139) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
PubChem CID130610139
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFC(F)CN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C9H15F2NO/c10-9(11)4-12-3-1-2-7-5-13-6-8(7)12/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyVOGCQEKBRZPBDE-JGVFFNPUSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine 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
(2S)-6,6-difluoro-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167162281
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
(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130723850
(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 131084391
3,3-Difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 177326543
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557
(7S,8aS)-7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 89166362
1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 89716243

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The IUPAC name of (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (CID 130610139) is (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.
What is the SMILES notation for (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The canonical SMILES for (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is FC(F)CN1CCC[C@H]2COC[C@H]21.
What is the InChIKey of (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The InChIKey is VOGCQEKBRZPBDE-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)4-12-3-1-2-7-5-13-6-8(7)12/h7-9H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine has a molecular weight of 191.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is sourced from PubChem (CID 130610139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).