1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine

C8H4F7IN2O — CID 126044668

IUPAC1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(I)o1
InChIInChI=1S/C8H4F7IN2O/c9-6(10,7(11,12)13)8(14,15)18-17-3-4-1-2-5(16)19-4/h1-3,18H/b17-3+
InChIKeyOWKAEWKWTKVYOU-IJUHEHPCSA-N
MW404.02 g/mol
LogP3.60
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine

1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine (PubChem CID 126044668) has the molecular formula C8H4F7IN2O and a molecular weight of 404.02 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine
PubChem CID126044668
Molecular FormulaC8H4F7IN2O
Molecular Weight404.02 g/mol
Exact Mass403.93
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(I)o1
InChIInChI=1S/C8H4F7IN2O/c9-6(10,7(11,12)13)8(14,15)18-17-3-4-1-2-5(16)19-4/h1-3,18H/b17-3+
InChIKeyOWKAEWKWTKVYOU-IJUHEHPCSA-N
XLogP3.60
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.02
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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

1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine
CID 126046698
2-chloro-4-[5-[(E)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 126046649
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126045435
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]propan-1-amine
CID 126047088
4-[(E)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]benzoic acid
CID 126042822
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine
CID 45155488
N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126039325
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propan-1-amine
CID 126048176
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126036097
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
CID 126045816

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine (CID 126044668) is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine is FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(I)o1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine?
The InChIKey is OWKAEWKWTKVYOU-IJUHEHPCSA-N. The full InChI is InChI=1S/C8H4F7IN2O/c9-6(10,7(11,12)13)8(14,15)18-17-3-4-1-2-5(16)19-4/h1-3,18H/b17-3+.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine has a molecular weight of 404.02 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine is sourced from PubChem (CID 126044668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).