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

C20H24F8N4O4 — CID 155834003

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

9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155834003) has the molecular formula C20H24F8N4O4 and a molecular weight of 536.42 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155834003
• Molecular Formula: C20H24F8N4O4
• Molecular Weight: 536.42 g/mol
• Exact Mass: 536.17
• IUPAC Name: 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: FC1(F)CCN(CC2CC2)CC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H22F2N4.2C2HF3O2/c17-16(18)4-7-21(10-13-1-2-13)11-15(16)3-8-22(12-15)14-9-19-5-6-20-14;2*3-2(4,5)1(6)7/h5-6,9,13H,1-4,7-8,10-12H2;2*(H,6,7)
• InChIKey: RXSHKMUTRXJJJF-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 106.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.42
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155834003) is 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is FC1(F)CCN(CC2CC2)CC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is RXSHKMUTRXJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4.2C2HF3O2/c17-16(18)4-7-21(10-13-1-2-13)11-15(16)3-8-22(12-15)14-9-19-5-6-20-14;2*3-2(4,5)1(6)7/h5-6,9,13H,1-4,7-8,10-12H2;2*(H,6,7).

What are the key properties of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 536.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155834003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).