1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine

C8H5F7N2O — CID 126046698

IUPAC1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccco1
InChIInChI=1S/C8H5F7N2O/c9-6(10,7(11,12)13)8(14,15)17-16-4-5-2-1-3-18-5/h1-4,17H/b16-4+
InChIKeyHPZADPHACFZNQA-AYSLTRBKSA-N
MW278.13 g/mol
LogP2.99
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine

1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine (PubChem CID 126046698) has the molecular formula C8H5F7N2O and a molecular weight of 278.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine
PubChem CID126046698
Molecular FormulaC8H5F7N2O
Molecular Weight278.13 g/mol
Exact Mass278.03
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccco1
InChIInChI=1S/C8H5F7N2O/c9-6(10,7(11,12)13)8(14,15)17-16-4-5-2-1-3-18-5/h1-4,17H/b16-4+
InChIKeyHPZADPHACFZNQA-AYSLTRBKSA-N
XLogP2.99
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N'-[(E)-furan-2-ylmethylideneamino]methanediamine
CID 143034278
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
1,2-bis[(Z)-furan-2-ylmethylideneamino]guanidine
CID 6154529
N-[(Z)-furan-2-ylmethylideneamino]benzenesulfonamide
CID 6269707
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
CID 6185558
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine (CID 126046698) is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine is FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccco1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine?
The InChIKey is HPZADPHACFZNQA-AYSLTRBKSA-N. The full InChI is InChI=1S/C8H5F7N2O/c9-6(10,7(11,12)13)8(14,15)17-16-4-5-2-1-3-18-5/h1-4,17H/b16-4+.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine has a molecular weight of 278.13 g/mol, XLogP of 2.99, 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)-furan-2-ylmethylideneamino]propan-1-amine is sourced from PubChem (CID 126046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).