N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide

C7H9F3N2O — CID 130674371

IUPACN-(cyclobutylideneamino)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NN=C1CCC1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)4-6(13)12-11-5-2-1-3-5/h1-4H2,(H,12,13)
InChIKeyXCODXSYKHSXDNM-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds2

About N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide

N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide (PubChem CID 130674371) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(cyclobutylideneamino)-3,3,3-trifluoropropanamide
PubChem CID130674371
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC NameN-(cyclobutylideneamino)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NN=C1CCC1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)4-6(13)12-11-5-2-1-3-5/h1-4H2,(H,12,13)
InChIKeyXCODXSYKHSXDNM-UHFFFAOYSA-N
XLogP1.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.59
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-(cyclobutylideneamino)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide (CID 130674371) is N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NN=C1CCC1.
What is the InChIKey of N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide?
The InChIKey is XCODXSYKHSXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)4-6(13)12-11-5-2-1-3-5/h1-4H2,(H,12,13).
What are the key properties of N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide?
N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide has a molecular weight of 194.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 130674371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).