N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide

C6H7F3N2O — CID 126996446

IUPACN-(cyclobutylideneamino)-2,2,2-trifluoroacetamide
SMILESO=C(NN=C1CCC1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)11-10-4-2-1-3-4/h1-3H2,(H,11,12)
InChIKeySNQGRLCDSYAOIE-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.20
Rot. Bonds1

About N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide

N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide (PubChem CID 126996446) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(cyclobutylideneamino)-2,2,2-trifluoroacetamide
PubChem CID126996446
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC NameN-(cyclobutylideneamino)-2,2,2-trifluoroacetamide
SMILESO=C(NN=C1CCC1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)11-10-4-2-1-3-4/h1-3H2,(H,11,12)
InChIKeySNQGRLCDSYAOIE-UHFFFAOYSA-N
XLogP1.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.20
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'}

Analyze N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide (CID 126996446) is N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide is O=C(NN=C1CCC1)C(F)(F)F.
What is the InChIKey of N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide?
The InChIKey is SNQGRLCDSYAOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)11-10-4-2-1-3-4/h1-3H2,(H,11,12).
What are the key properties of N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide?
N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide has a molecular weight of 180.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 126996446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).