2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C7H10F3NO2 — CID 123236542

IUPAC2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC1(O)CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-6(13)2-4(3-6)11-5(12)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyWMDGWKKKFOWDEI-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.58
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 123236542) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID123236542
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC1(O)CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-6(13)2-4(3-6)11-5(12)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyWMDGWKKKFOWDEI-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 123236542) is 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CC1(O)CC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is WMDGWKKKFOWDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-6(13)2-4(3-6)11-5(12)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 123236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).