(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal

C7H8FNO — CID 177237592

IUPAC(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal
SMILESC=C/C(C=O)=N\C(F)=C/C
InChIInChI=1S/C7H8FNO/c1-3-6(5-10)9-7(8)4-2/h3-5H,1H2,2H3/b7-4-,9-6+
InChIKeyGXXWCJUERSDJMO-WCXGJSBASA-N
MW141.14 g/mol
LogP1.64
Rot. Bonds3

About (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal

(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal (PubChem CID 177237592) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal.

Molecular Properties

Compound Name(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal
PubChem CID177237592
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal
SMILESC=C/C(C=O)=N\C(F)=C/C
InChIInChI=1S/C7H8FNO/c1-3-6(5-10)9-7(8)4-2/h3-5H,1H2,2H3/b7-4-,9-6+
InChIKeyGXXWCJUERSDJMO-WCXGJSBASA-N
XLogP1.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal?
The IUPAC name of (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal (CID 177237592) is (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal.
What is the SMILES notation for (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal?
The canonical SMILES for (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal is C=C/C(C=O)=N\C(F)=C/C.
What is the InChIKey of (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal?
The InChIKey is GXXWCJUERSDJMO-WCXGJSBASA-N. The full InChI is InChI=1S/C7H8FNO/c1-3-6(5-10)9-7(8)4-2/h3-5H,1H2,2H3/b7-4-,9-6+.
What are the key properties of (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal?
(2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal has a molecular weight of 141.14 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-fluoroprop-1-enyl]iminobut-3-enal is sourced from PubChem (CID 177237592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).