2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

C16H27F2N3O2 — CID 169255160

IUPAC2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COc1nccnc1C(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C6H6F2N2O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-11-6-4(5(7)8)9-2-3-10-6;1-2/h10H,1-7H2;2-3,5H,1H3;1-2H3
InChIKeyYBOVDQCMRKZIHS-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.06
Rot. Bonds3

About 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (PubChem CID 169255160) has the molecular formula C16H27F2N3O2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
PubChem CID169255160
Molecular FormulaC16H27F2N3O2
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COc1nccnc1C(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C6H6F2N2O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-11-6-4(5(7)8)9-2-3-10-6;1-2/h10H,1-7H2;2-3,5H,1H3;1-2H3
InChIKeyYBOVDQCMRKZIHS-UHFFFAOYSA-N
XLogP3.06
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol with MolForge

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Related Compounds

ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
CID 164922014
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 104515843
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine
CID 169255277
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
CID 104515113
[1-(azepan-1-yl)cyclopentyl]methanol
CID 104549393
2-(1-methoxycyclobutyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 103559774
1-(3-methoxypyrazin-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 104515174
[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
CID 95188002

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The IUPAC name of 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (CID 169255160) is 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The canonical SMILES for 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is CC.COc1nccnc1C(F)F.OCC12CCCN1CCC2.
What is the InChIKey of 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The InChIKey is YBOVDQCMRKZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H6F2N2O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-11-6-4(5(7)8)9-2-3-10-6;1-2/h10H,1-7H2;2-3,5H,1H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol has a molecular weight of 331.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is sourced from PubChem (CID 169255160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).