N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide

C10H16F3NO2 — CID 103682172

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide
SMILESCCOC1CC(NC(=O)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H16F3NO2/c1-4-16-7-5-6(9(7,2)3)14-8(15)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySUGTZBGCLMIXTG-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide (PubChem CID 103682172) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide
PubChem CID103682172
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide
SMILESCCOC1CC(NC(=O)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H16F3NO2/c1-4-16-7-5-6(9(7,2)3)14-8(15)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySUGTZBGCLMIXTG-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide (CID 103682172) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide is CCOC1CC(NC(=O)C(F)(F)F)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide?
The InChIKey is SUGTZBGCLMIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-4-16-7-5-6(9(7,2)3)14-8(15)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103682172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).