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

C10H13F3N4 — CID 176533036

IUPAC4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine
SMILES[H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(C)N)C(C)(F)F
InChIInChI=1S/C10H13F3N4/c1-6(15)8(11)5-17-7(4-14)3-9(16)10(2,12)13/h3-5,14,16H,15H2,1-2H3/b7-3+,8-6?,14-4+,16-9-,17-5+
InChIKeyIWJINBWCDBWRQF-FWXSAPRMSA-N
MW246.24 g/mol
LogP2.43
Rot. Bonds5

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

4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine (PubChem CID 176533036) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine.

Molecular Properties

Compound Name4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine
PubChem CID176533036
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine
SMILES[H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(C)N)C(C)(F)F
InChIInChI=1S/C10H13F3N4/c1-6(15)8(11)5-17-7(4-14)3-9(16)10(2,12)13/h3-5,14,16H,15H2,1-2H3/b7-3+,8-6?,14-4+,16-9-,17-5+
InChIKeyIWJINBWCDBWRQF-FWXSAPRMSA-N
XLogP2.43
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.43
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 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine?
The IUPAC name of 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine (CID 176533036) is 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine.
What is the SMILES notation for 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine?
The canonical SMILES for 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine is [H]/N=C(/C=C(\C=N\[H])/N=C/C(F)=C(C)N)C(C)(F)F.
What is the InChIKey of 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine?
The InChIKey is IWJINBWCDBWRQF-FWXSAPRMSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-6(15)8(11)5-17-7(4-14)3-9(16)10(2,12)13/h3-5,14,16H,15H2,1-2H3/b7-3+,8-6?,14-4+,16-9-,17-5+.
What are the key properties of 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine?
4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine has a molecular weight of 246.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5,5-difluoro-1,4-diiminohex-2-en-2-yl]imino-3-fluorobut-2-en-2-amine is sourced from PubChem (CID 176533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).