2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C₁₃H₂₂F₃NO₂ — CID 103915346

About 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915346) has the molecular formula C₁₃H₂₂F₃NO₂ and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 103915346
• Molecular Formula: C₁₃H₂₂F₃NO₂
• Molecular Weight: 281.32 g/mol
• Exact Mass: 281.16
• IUPAC Name: 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: O=C(CC1CCCCCC1)N(CCO)CC(F)(F)F
• InChI: InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)12(19)9-11-5-3-1-2-4-6-11/h11,18H,1-10H2
• InChIKey: VFUHFYIVTGLHOQ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.32
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103915346) is 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

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

The canonical SMILES for 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CCCCCC1)N(CCO)CC(F)(F)F.

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

The InChIKey is VFUHFYIVTGLHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)12(19)9-11-5-3-1-2-4-6-11/h11,18H,1-10H2.

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

2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103915346 — identifiers, structure, computed properties (public domain)

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