(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal

C10H10FNO2 — CID 134858379

IUPAC(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal
SMILESO=C/C(F)=C\CN(O)c1ccccc1
InChIInChI=1S/C10H10FNO2/c11-9(8-13)6-7-12(14)10-4-2-1-3-5-10/h1-6,8,14H,7H2/b9-6+
InChIKeyMGRCMKBEFCPFBC-RMKNXTFCSA-N
MW195.19 g/mol
LogP1.93
Rot. Bonds4

About (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal

(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal (PubChem CID 134858379) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal.

Molecular Properties

Compound Name(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal
PubChem CID134858379
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal
SMILESO=C/C(F)=C\CN(O)c1ccccc1
InChIInChI=1S/C10H10FNO2/c11-9(8-13)6-7-12(14)10-4-2-1-3-5-10/h1-6,8,14H,7H2/b9-6+
InChIKeyMGRCMKBEFCPFBC-RMKNXTFCSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal?
The IUPAC name of (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal (CID 134858379) is (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal.
What is the SMILES notation for (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal?
The canonical SMILES for (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal is O=C/C(F)=C\CN(O)c1ccccc1.
What is the InChIKey of (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal?
The InChIKey is MGRCMKBEFCPFBC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9(8-13)6-7-12(14)10-4-2-1-3-5-10/h1-6,8,14H,7H2/b9-6+.
What are the key properties of (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal?
(E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal has a molecular weight of 195.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-4-(N-hydroxyanilino)but-2-enal is sourced from PubChem (CID 134858379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).