1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine

C11H15F3N4 — CID 176533037

IUPAC1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine
SMILES[H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(N)CC)C(C)(F)F
InChIInChI=1S/C11H15F3N4/c1-3-9(16)8(12)6-18-7(5-15)4-10(17)11(2,13)14/h4-6,15,17H,3,16H2,1-2H3/b7-4+,9-8?,15-5+,17-10-,18-6+
InChIKeyNNICMGMOIAYTAL-JIEKWARFSA-N
MW260.26 g/mol
LogP2.82
Rot. Bonds6

About 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine

1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine (PubChem CID 176533037) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine.

Molecular Properties

Compound Name1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine
PubChem CID176533037
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine
SMILES[H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(N)CC)C(C)(F)F
InChIInChI=1S/C11H15F3N4/c1-3-9(16)8(12)6-18-7(5-15)4-10(17)11(2,13)14/h4-6,15,17H,3,16H2,1-2H3/b7-4+,9-8?,15-5+,17-10-,18-6+
InChIKeyNNICMGMOIAYTAL-JIEKWARFSA-N
XLogP2.82
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine?
The IUPAC name of 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine (CID 176533037) is 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine.
What is the SMILES notation for 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine?
The canonical SMILES for 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine is [H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(N)CC)C(C)(F)F.
What is the InChIKey of 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine?
The InChIKey is NNICMGMOIAYTAL-JIEKWARFSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-3-9(16)8(12)6-18-7(5-15)4-10(17)11(2,13)14/h4-6,15,17H,3,16H2,1-2H3/b7-4+,9-8?,15-5+,17-10-,18-6+.
What are the key properties of 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine?
1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-2-fluoropent-2-en-3-amine is sourced from PubChem (CID 176533037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).