N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide

C8H12F3NO — CID 103737219

IUPACN-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-2-7(3-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyRNKCMNIDXHTRGM-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.86
Rot. Bonds3

About N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide

N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 103737219) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID103737219
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-2-7(3-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyRNKCMNIDXHTRGM-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide (CID 103737219) is N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide is CCC1(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is RNKCMNIDXHTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-7(3-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 195.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103737219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).