(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal

C10H7FIN2OP — CID 176936906

IUPAC(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal
SMILESO=C/C=C/c1cc2c(cnn2PI)cc1F
InChIInChI=1S/C10H7FIN2OP/c11-9-4-8-6-13-14(16-12)10(8)5-7(9)2-1-3-15/h1-6,16H/b2-1+
InChIKeyCCJKSPKLZFYMDX-OWOJBTEDSA-N
MW348.06 g/mol
LogP3.18
Rot. Bonds3

About (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal

(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal (PubChem CID 176936906) has the molecular formula C10H7FIN2OP and a molecular weight of 348.06 g/mol. Its IUPAC name is (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal
PubChem CID176936906
Molecular FormulaC10H7FIN2OP
Molecular Weight348.06 g/mol
Exact Mass347.93
IUPAC Name(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal
SMILESO=C/C=C/c1cc2c(cnn2PI)cc1F
InChIInChI=1S/C10H7FIN2OP/c11-9-4-8-6-13-14(16-12)10(8)5-7(9)2-1-3-15/h1-6,16H/b2-1+
InChIKeyCCJKSPKLZFYMDX-OWOJBTEDSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal?
The IUPAC name of (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal (CID 176936906) is (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal?
The canonical SMILES for (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal is O=C/C=C/c1cc2c(cnn2PI)cc1F.
What is the InChIKey of (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal?
The InChIKey is CCJKSPKLZFYMDX-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7FIN2OP/c11-9-4-8-6-13-14(16-12)10(8)5-7(9)2-1-3-15/h1-6,16H/b2-1+.
What are the key properties of (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal?
(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal has a molecular weight of 348.06 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal is sourced from PubChem (CID 176936906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).