N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide

C11H16F3NO — CID 5136313

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H16F3NO/c1-6(15-10(16)11(12,13)14)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyZVFQQYCJCKSOCF-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.49
Rot. Bonds2

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 5136313) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID5136313
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H16F3NO/c1-6(15-10(16)11(12,13)14)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyZVFQQYCJCKSOCF-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide (CID 5136313) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZVFQQYCJCKSOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-6(15-10(16)11(12,13)14)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 235.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5136313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).