[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine

C₉H₁₅F₄NO — CID 141062729

About [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine

[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine (PubChem CID 141062729) has the molecular formula C₉H₁₅F₄NO and a molecular weight of 229.22 g/mol. Its IUPAC name is [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

• Compound Name: [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine
• PubChem CID: 141062729
• Molecular Formula: C₉H₁₅F₄NO
• Molecular Weight: 229.22 g/mol
• Exact Mass: 229.11
• IUPAC Name: [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine
• SMILES: NCC1CCCC(OC(F)(F)C(F)F)C1
• InChI: InChI=1S/C9H15F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h6-8H,1-5,14H2
• InChIKey: BQYXFPLXCXGYSZ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.22
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?

The IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine (CID 141062729) is [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine.

What is the SMILES notation for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?

The canonical SMILES for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine is NCC1CCCC(OC(F)(F)C(F)F)C1.

What is the InChIKey of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?

The InChIKey is BQYXFPLXCXGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h6-8H,1-5,14H2.

What are the key properties of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?

[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine has a molecular weight of 229.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 141062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141062729 — identifiers, structure, computed properties (public domain)

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