N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N2O — CID 78997607

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC2CCC1C2
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)6-15-5-10(17)16-9-4-7-1-2-8(9)3-7/h7-9,15H,1-6H2,(H,16,17)
InChIKeyFHSGOLPQCSLCKT-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.44
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78997607) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78997607
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC2CCC1C2
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)6-15-5-10(17)16-9-4-7-1-2-8(9)3-7/h7-9,15H,1-6H2,(H,16,17)
InChIKeyFHSGOLPQCSLCKT-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78997607) is N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FHSGOLPQCSLCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)6-15-5-10(17)16-9-4-7-1-2-8(9)3-7/h7-9,15H,1-6H2,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78997607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).