7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C16H20F4N4O2 — CID 118742993

About 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 118742993) has the molecular formula C16H20F4N4O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
• PubChem CID: 118742993
• Molecular Formula: C16H20F4N4O2
• Molecular Weight: 376.35 g/mol
• Exact Mass: 376.15
• IUPAC Name: 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
• SMILES: Fc1cnc(N2CC3(CCN(CC4CC4)C3)C2)nc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C14H19FN4.C2HF3O2/c15-12-5-16-13(17-6-12)19-9-14(10-19)3-4-18(8-14)7-11-1-2-11;3-2(4,5)1(6)7/h5-6,11H,1-4,7-10H2;(H,6,7)
• InChIKey: CZFOQNBPTQFZFE-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.35
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 118742993) is 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is Fc1cnc(N2CC3(CCN(CC4CC4)C3)C2)nc1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?

The InChIKey is CZFOQNBPTQFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4.C2HF3O2/c15-12-5-16-13(17-6-12)19-9-14(10-19)3-4-18(8-14)7-11-1-2-11;3-2(4,5)1(6)7/h5-6,11H,1-4,7-10H2;(H,6,7).

What are the key properties of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?

7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 376.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).