N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide

C7H10F2N2O — CID 131251739

IUPACN-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide
SMILESCC(=O)NN=C1CC(C(F)F)C1
InChIInChI=1S/C7H10F2N2O/c1-4(12)10-11-6-2-5(3-6)7(8)9/h5,7H,2-3H2,1H3,(H,10,12)/b11-6-
InChIKeyLEBCTOVGXLWTCM-WDZFZDKYSA-N
MW176.17 g/mol
LogP1.15
Rot. Bonds2

About N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide

N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide (PubChem CID 131251739) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide
PubChem CID131251739
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide
SMILESCC(=O)NN=C1CC(C(F)F)C1
InChIInChI=1S/C7H10F2N2O/c1-4(12)10-11-6-2-5(3-6)7(8)9/h5,7H,2-3H2,1H3,(H,10,12)/b11-6-
InChIKeyLEBCTOVGXLWTCM-WDZFZDKYSA-N
XLogP1.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.15
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 N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide?
The IUPAC name of N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide (CID 131251739) is N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide.
What is the SMILES notation for N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide?
The canonical SMILES for N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide is CC(=O)NN=C1CC(C(F)F)C1.
What is the InChIKey of N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide?
The InChIKey is LEBCTOVGXLWTCM-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-4(12)10-11-6-2-5(3-6)7(8)9/h5,7H,2-3H2,1H3,(H,10,12)/b11-6-.
What are the key properties of N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide?
N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide has a molecular weight of 176.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide is sourced from PubChem (CID 131251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).