2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide

C7H9F3N2O — CID 131208961

IUPAC2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide
SMILESCC1CC(=NNC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O/c1-4-2-5(3-4)11-12-6(13)7(8,9)10/h4H,2-3H2,1H3,(H,12,13)/b11-5-
InChIKeyQRFSVBKAHAIDRV-WZUFQYTHSA-N
MW194.16 g/mol
LogP1.45
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide

2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide (PubChem CID 131208961) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide
PubChem CID131208961
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide
SMILESCC1CC(=NNC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O/c1-4-2-5(3-4)11-12-6(13)7(8,9)10/h4H,2-3H2,1H3,(H,12,13)/b11-5-
InChIKeyQRFSVBKAHAIDRV-WZUFQYTHSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide (CID 131208961) is 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide is CC1CC(=NNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide?
The InChIKey is QRFSVBKAHAIDRV-WZUFQYTHSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-2-5(3-4)11-12-6(13)7(8,9)10/h4H,2-3H2,1H3,(H,12,13)/b11-5-.
What are the key properties of 2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide?
2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide has a molecular weight of 194.16 g/mol, XLogP of 1.45, 1 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-methylcyclobutylidene)amino]acetamide is sourced from PubChem (CID 131208961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).