2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide

C7H11F3N2O — CID 130702982

IUPAC2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide
SMILESCCC(CC)=NNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-5(4-2)11-12-6(13)7(8,9)10/h3-4H2,1-2H3,(H,12,13)
InChIKeyVIKNVIGXCIOQBA-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.84
Rot. Bonds3

About 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide

2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide (PubChem CID 130702982) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide
PubChem CID130702982
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide
SMILESCCC(CC)=NNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-5(4-2)11-12-6(13)7(8,9)10/h3-4H2,1-2H3,(H,12,13)
InChIKeyVIKNVIGXCIOQBA-UHFFFAOYSA-N
XLogP1.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.84
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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Related Compounds

N'-[(E)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
CID 9717971
N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
CID 7996849
N'-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
CID 72067514
N-(cyclobutylideneamino)-2,2,2-trifluoroacetamide
CID 126996446
N-(cyclobutylideneamino)-3,3,3-trifluoropropanamide
CID 130674371
2,2,2-trifluoro-N-[(3-methylcyclobutylidene)amino]acetamide
CID 131208961
N-(cyclohexylideneamino)-2,2-difluoroacetamide
CID 131223977
N-[[3-(difluoromethyl)cyclobutylidene]amino]acetamide
CID 131251739
N-[(E)-4,4,4-trifluorobutan-2-ylideneamino]acetamide
CID 133620304
N-[(E)-butan-2-ylideneamino]-2,2,2-trifluoroacetamide
CID 133627844
N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]acetamide
CID 133628980
2,2,2-trifluoro-N-[(E)-pentylideneamino]acetamide
CID 133682304

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide (CID 130702982) is 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide is CCC(CC)=NNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide?
The InChIKey is VIKNVIGXCIOQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-3-5(4-2)11-12-6(13)7(8,9)10/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide?
2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide has a molecular weight of 196.17 g/mol, XLogP of 1.84, 3 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-(pentan-3-ylideneamino)acetamide is sourced from PubChem (CID 130702982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).