N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride

C7H7F2N — CID 155133443

IUPACN-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C\C(=C)F
InChIInChI=1S/C7H7F2N/c1-3-7(9)10-5-4-6(2)8/h3-5H,1-2H2/b5-4-,10-7-
InChIKeyRJQBNJKKHPZQMS-WKBXPBOGSA-N
MW143.14 g/mol
LogP2.54
Rot. Bonds3

About N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride

N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride (PubChem CID 155133443) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride
PubChem CID155133443
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC NameN-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C\C(=C)F
InChIInChI=1S/C7H7F2N/c1-3-7(9)10-5-4-6(2)8/h3-5H,1-2H2/b5-4-,10-7-
InChIKeyRJQBNJKKHPZQMS-WKBXPBOGSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The IUPAC name of N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride (CID 155133443) is N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The canonical SMILES for N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride is C=C/C(F)=N/C=C\C(=C)F.
What is the InChIKey of N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The InChIKey is RJQBNJKKHPZQMS-WKBXPBOGSA-N. The full InChI is InChI=1S/C7H7F2N/c1-3-7(9)10-5-4-6(2)8/h3-5H,1-2H2/b5-4-,10-7-.
What are the key properties of N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride?
N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride has a molecular weight of 143.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 155133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).