N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide

C11H7F7N2O — CID 138396362

IUPACN-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NN=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-19-6-7-4-2-1-3-5-7/h1-6H,(H,20,21)
InChIKeyNIXAZLSKEGYCPS-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.97
Rot. Bonds4

About N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 138396362) has the molecular formula C11H7F7N2O and a molecular weight of 316.18 g/mol. Its IUPAC name is N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID138396362
Molecular FormulaC11H7F7N2O
Molecular Weight316.18 g/mol
Exact Mass316.04
IUPAC NameN-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NN=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-19-6-7-4-2-1-3-5-7/h1-6H,(H,20,21)
InChIKeyNIXAZLSKEGYCPS-UHFFFAOYSA-N
XLogP2.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.97
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylbenzylidene)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9628543
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N'-(4-methylbenzylidene)heptanohydrazide
CID 9657868
Acetic acid, cyano-, (phenylmethylene)hydrazide, (E)-
CID 6869220
N'-benzylidene-3-methylenecyclobutanecarbohydrazide
CID 6876974
N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6902969
N'-[(4-ethylphenyl)methylidene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanehydrazide
CID 3626400
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-N'-[(4-methylphenyl)methylidene]heptanehydrazide
CID 4329388
N-[(E)-benzylideneamino]acetamide
CID 6871296
N'-(4-methylbenzylidene)acetohydrazide
CID 9569621
N'-[(E)-phenylmethylidene]cyclopropanecarbohydrazide
CID 9561828
4-amino-N-[(E)-(3-iodophenyl)methylideneamino]butanamide
CID 76312781
4-amino-N-[(E)-(2-iodophenyl)methylideneamino]butanamide
CID 76312791

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 138396362) is N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NN=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is NIXAZLSKEGYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-19-6-7-4-2-1-3-5-7/h1-6H,(H,20,21).
What are the key properties of N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 316.18 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 138396362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).