1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol

C₁₁H₂₀F₃NO₂ — CID 63900670

About 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol (PubChem CID 63900670) has the molecular formula C₁₁H₂₀F₃NO₂ and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
• PubChem CID: 63900670
• Molecular Formula: C₁₁H₂₀F₃NO₂
• Molecular Weight: 255.28 g/mol
• Exact Mass: 255.14
• IUPAC Name: 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
• SMILES: CC1CCC(CO)(NCC(O)C(F)(F)F)CC1
• InChI: InChI=1S/C11H20F3NO2/c1-8-2-4-10(7-16,5-3-8)15-6-9(17)11(12,13)14/h8-9,15-17H,2-7H2,1H3
• InChIKey: ZYULEZNKPBPXCY-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 52.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.28
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol (CID 63900670) is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol is CC1CCC(CO)(NCC(O)C(F)(F)F)CC1.

What is the InChIKey of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?

The InChIKey is ZYULEZNKPBPXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8-2-4-10(7-16,5-3-8)15-6-9(17)11(12,13)14/h8-9,15-17H,2-7H2,1H3.

What are the key properties of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?

1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 63900670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63900670 — identifiers, structure, computed properties (public domain)

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