2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol

C14H20F2N4O — CID 118744565

IUPAC2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol
SMILESOCCN1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C14H20F2N4O/c15-14(16)2-5-19(7-8-21)10-13(14)1-6-20(11-13)12-9-17-3-4-18-12/h3-4,9,21H,1-2,5-8,10-11H2
InChIKeyYEVCYWIWILAQDQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.01
Rot. Bonds3

About 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol

2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol (PubChem CID 118744565) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol
PubChem CID118744565
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol
SMILESOCCN1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C14H20F2N4O/c15-14(16)2-5-19(7-8-21)10-13(14)1-6-20(11-13)12-9-17-3-4-18-12/h3-4,9,21H,1-2,5-8,10-11H2
InChIKeyYEVCYWIWILAQDQ-UHFFFAOYSA-N
XLogP1.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,6-Difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol;2,2,2-trifluoroacetic acid
CID 118744564
9-(Cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131645863
(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97399341
(5R)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97399342
(5S)-10,10-difluoro-N,N-dimethyl-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97502446
(5R)-10,10-difluoro-N,N-dimethyl-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97502447
(5S)-9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502458
(5R)-9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502459
(5S)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502460
(5R)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502461
2-[(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97502530
2-[(5R)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97502531

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol (CID 118744565) is 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol is OCCN1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is YEVCYWIWILAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c15-14(16)2-5-19(7-8-21)10-13(14)1-6-20(11-13)12-9-17-3-4-18-12/h3-4,9,21H,1-2,5-8,10-11H2.
What are the key properties of 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol?
2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 298.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 118744565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).