2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C14H23F3N2O — CID 78914787

IUPAC2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CNCC(F)(F)F)C2
InChIInChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(12,3)10(6-9)19-11(20)7-18-8-14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyQOHJEVBMAIUBLT-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 78914787) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID78914787
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CNCC(F)(F)F)C2
InChIInChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(12,3)10(6-9)19-11(20)7-18-8-14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyQOHJEVBMAIUBLT-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 78914787) is 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)CNCC(F)(F)F)C2.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is QOHJEVBMAIUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(12,3)10(6-9)19-11(20)7-18-8-14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 78914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).