6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C14H17F5N4O2 — CID 171672799

IUPAC6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCNCC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16F2N4.C2HF3O2/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10;3-2(4,5)1(6)7/h4-5,7,16H,1-3,6,8-9H2;(H,6,7)
InChIKeyQPXVNQAFXABRQO-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.93
Rot. Bonds1

About 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 171672799) has the molecular formula C14H17F5N4O2 and a molecular weight of 368.31 g/mol. Its IUPAC name is 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID171672799
Molecular FormulaC14H17F5N4O2
Molecular Weight368.31 g/mol
Exact Mass368.13
IUPAC Name6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCNCC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16F2N4.C2HF3O2/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10;3-2(4,5)1(6)7/h4-5,7,16H,1-3,6,8-9H2;(H,6,7)
InChIKeyQPXVNQAFXABRQO-UHFFFAOYSA-N
XLogP1.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 171672799) is 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is FC1(F)CCNCC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is QPXVNQAFXABRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4.C2HF3O2/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10;3-2(4,5)1(6)7/h4-5,7,16H,1-3,6,8-9H2;(H,6,7).
What are the key properties of 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 368.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171672799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).