N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide

C17H20F3NO — CID 91752742

IUPACN-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCN(C(=O)C(F)(F)F)C1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C17H20F3NO/c1-2-21(16(22)17(18,19)20)15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3
InChIKeyZLLCHWCZXXVNBD-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.98
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide

N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 91752742) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID91752742
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCN(C(=O)C(F)(F)F)C1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C17H20F3NO/c1-2-21(16(22)17(18,19)20)15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3
InChIKeyZLLCHWCZXXVNBD-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 91752742) is N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide is CCN(C(=O)C(F)(F)F)C1C2CCC(C2)C1c1ccccc1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is ZLLCHWCZXXVNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-2-21(16(22)17(18,19)20)15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 311.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 91752742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).