2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine

C18H10F10N2O2 — CID 5374811

IUPAC2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine
SMILESCC(=N/OCc1c(F)c(F)c(F)c(F)c1F)/C(C)=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F10N2O2/c1-5(29-31-3-7-9(19)13(23)17(27)14(24)10(7)20)6(2)30-32-4-8-11(21)15(25)18(28)16(26)12(8)22/h3-4H2,1-2H3/b29-5-,30-6+
InChIKeyFJVTVBQIHZZDBE-VONOUILESA-N
MW476.27 g/mol
LogP5.56
Rot. Bonds7

About 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine

2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine (PubChem CID 5374811) has the molecular formula C18H10F10N2O2 and a molecular weight of 476.27 g/mol. Its IUPAC name is 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine
PubChem CID5374811
Molecular FormulaC18H10F10N2O2
Molecular Weight476.27 g/mol
Exact Mass476.06
IUPAC Name2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine
SMILESCC(=N/OCc1c(F)c(F)c(F)c(F)c1F)/C(C)=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F10N2O2/c1-5(29-31-3-7-9(19)13(23)17(27)14(24)10(7)20)6(2)30-32-4-8-11(21)15(25)18(28)16(26)12(8)22/h3-4H2,1-2H3/b29-5-,30-6+
InChIKeyFJVTVBQIHZZDBE-VONOUILESA-N
XLogP5.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.27
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methylsulfanyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine
CID 91752798
(E)-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]heptan-3-imine
CID 91752800
N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
CID 71433851
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
CID 12954709
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
CID 602550
1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine
CID 154104993
(E,2E,4R,6S)-4,6-dibromo-3,7-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octa-2,7-dien-1-imine
CID 172965575
methyl (Z,9E,12Z)-9,12-bis[(2,3,4,5,6-pentafluorophenyl)methoxyimino]dodec-10-enoate
CID 91752405
4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
CID 177409244
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663914

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine (CID 5374811) is 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine is CC(=N/OCc1c(F)c(F)c(F)c(F)c1F)/C(C)=N/OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine?
The InChIKey is FJVTVBQIHZZDBE-VONOUILESA-N. The full InChI is InChI=1S/C18H10F10N2O2/c1-5(29-31-3-7-9(19)13(23)17(27)14(24)10(7)20)6(2)30-32-4-8-11(21)15(25)18(28)16(26)12(8)22/h3-4H2,1-2H3/b29-5-,30-6+.
What are the key properties of 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine?
2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine has a molecular weight of 476.27 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine is sourced from PubChem (CID 5374811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).