N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide

C₁₂H₂₀F₃NO₂ — CID 103915349

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide (PubChem CID 103915349) has the molecular formula C₁₂H₂₀F₃NO₂ and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide
• PubChem CID: 103915349
• Molecular Formula: C₁₂H₂₀F₃NO₂
• Molecular Weight: 267.29 g/mol
• Exact Mass: 267.14
• IUPAC Name: N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide
• SMILES: O=C(C1CCCCCC1)N(CCO)CC(F)(F)F
• InChI: InChI=1S/C12H20F3NO2/c13-12(14,15)9-16(7-8-17)11(18)10-5-3-1-2-4-6-10/h10,17H,1-9H2
• InChIKey: GUAHRKSAMOSSIG-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.29
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?

The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide (CID 103915349) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide is O=C(C1CCCCCC1)N(CCO)CC(F)(F)F.

What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?

The InChIKey is GUAHRKSAMOSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-16(7-8-17)11(18)10-5-3-1-2-4-6-10/h10,17H,1-9H2.

What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide is sourced from PubChem (CID 103915349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103915349 — identifiers, structure, computed properties (public domain)

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