2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N2O — CID 60641135

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)17-6-12(19)18-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyYVCAFKAVHINEIH-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60641135) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60641135
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)17-6-12(19)18-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyYVCAFKAVHINEIH-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60641135) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC(NCC(=O)NCC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YVCAFKAVHINEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)17-6-12(19)18-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60641135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).