[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol

C13H15F4N3O — CID 178073006

IUPAC[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
SMILESOCc1nc(N2CCC3(CC3)C(F)(F)C2)cnc1C(F)F
InChIInChI=1S/C13H15F4N3O/c14-11(15)10-8(6-21)19-9(5-18-10)20-4-3-12(1-2-12)13(16,17)7-20/h5,11,21H,1-4,6-7H2
InChIKeyGSYOXWHUDHNQMJ-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.53
Rot. Bonds3

About [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol

[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol (PubChem CID 178073006) has the molecular formula C13H15F4N3O and a molecular weight of 305.28 g/mol. Its IUPAC name is [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
PubChem CID178073006
Molecular FormulaC13H15F4N3O
Molecular Weight305.28 g/mol
Exact Mass305.12
IUPAC Name[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
SMILESOCc1nc(N2CCC3(CC3)C(F)(F)C2)cnc1C(F)F
InChIInChI=1S/C13H15F4N3O/c14-11(15)10-8(6-21)19-9(5-18-10)20-4-3-12(1-2-12)13(16,17)7-20/h5,11,21H,1-4,6-7H2
InChIKeyGSYOXWHUDHNQMJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
CID 178073216
[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 170542917
6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
CID 178072931
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
CID 178072932
2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
CID 178072673
(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374417
[(3R)-3-ethyl-1-(6-ethyl-5-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 97145478
2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
CID 169255160
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
CID 131651713

Frequently Asked Questions

What is the IUPAC name of [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol?
The IUPAC name of [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol (CID 178073006) is [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol is OCc1nc(N2CCC3(CC3)C(F)(F)C2)cnc1C(F)F.
What is the InChIKey of [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol?
The InChIKey is GSYOXWHUDHNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O/c14-11(15)10-8(6-21)19-9(5-18-10)20-4-3-12(1-2-12)13(16,17)7-20/h5,11,21H,1-4,6-7H2.
What are the key properties of [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol?
[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol has a molecular weight of 305.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 178073006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).