2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide

C9H14F3NO2 — CID 103742570

IUPAC2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
SMILESCOC1CC(NC(=O)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H14F3NO2/c1-8(2)5(4-6(8)15-3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyZJHBLGPVOQIXGU-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide

2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 103742570) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID103742570
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
SMILESCOC1CC(NC(=O)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H14F3NO2/c1-8(2)5(4-6(8)15-3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyZJHBLGPVOQIXGU-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide (CID 103742570) is 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide is COC1CC(NC(=O)C(F)(F)F)C1(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is ZJHBLGPVOQIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2)5(4-6(8)15-3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 103742570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).