(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile

C13H7FINO — CID 879012

IUPAC(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(I)o1)c1ccc(F)cc1
InChIInChI=1S/C13H7FINO/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-7H/b10-7+
InChIKeyFOECQTNANMDMIP-JXMROGBWSA-N
MW339.11 g/mol
LogP4.09
Rot. Bonds2

About (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile

(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile (PubChem CID 879012) has the molecular formula C13H7FINO and a molecular weight of 339.11 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile
PubChem CID879012
Molecular FormulaC13H7FINO
Molecular Weight339.11 g/mol
Exact Mass338.96
IUPAC Name(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(I)o1)c1ccc(F)cc1
InChIInChI=1S/C13H7FINO/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-7H/b10-7+
InChIKeyFOECQTNANMDMIP-JXMROGBWSA-N
XLogP4.09
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile (CID 879012) is (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(I)o1)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile?
The InChIKey is FOECQTNANMDMIP-JXMROGBWSA-N. The full InChI is InChI=1S/C13H7FINO/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-7H/b10-7+.
What are the key properties of (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile?
(Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile has a molecular weight of 339.11 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)-3-(5-iodofuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 879012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).