[1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol

C17H21F3N2O4 — CID 71257406

About [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol

[1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol (PubChem CID 71257406) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol
• PubChem CID: 71257406
• Molecular Formula: C17H21F3N2O4
• Molecular Weight: 374.36 g/mol
• Exact Mass: 374.15
• IUPAC Name: [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol
• SMILES: OCC1(c2cc(OC3CCC4(CC3)OCCO4)nc(C(F)(F)F)n2)CC1
• InChI: InChI=1S/C17H21F3N2O4/c18-17(19,20)14-21-12(15(10-23)5-6-15)9-13(22-14)26-11-1-3-16(4-2-11)24-7-8-25-16/h9,11,23H,1-8,10H2
• InChIKey: YYGBLRNAYBGDHR-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 73.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.36
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol?

The IUPAC name of [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol (CID 71257406) is [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol.

What is the SMILES notation for [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol?

The canonical SMILES for [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol is OCC1(c2cc(OC3CCC4(CC3)OCCO4)nc(C(F)(F)F)n2)CC1.

What is the InChIKey of [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol?

The InChIKey is YYGBLRNAYBGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c18-17(19,20)14-21-12(15(10-23)5-6-15)9-13(22-14)26-11-1-3-16(4-2-11)24-7-8-25-16/h9,11,23H,1-8,10H2.

What are the key properties of [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol?

[1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol has a molecular weight of 374.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]methanol is sourced from PubChem (CID 71257406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).