(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile

C10H7FIN — CID 138984639

IUPAC(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile
SMILESN#CC/C=C(/I)c1ccc(F)cc1
InChIInChI=1S/C10H7FIN/c11-9-5-3-8(4-6-9)10(12)2-1-7-13/h2-6H,1H2/b10-2+
InChIKeyXVEVJPNNTDZTIK-WTDSWWLTSA-N
MW287.08 g/mol
LogP3.52
Rot. Bonds2

About (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile

(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile (PubChem CID 138984639) has the molecular formula C10H7FIN and a molecular weight of 287.08 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile
PubChem CID138984639
Molecular FormulaC10H7FIN
Molecular Weight287.08 g/mol
Exact Mass286.96
IUPAC Name(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile
SMILESN#CC/C=C(/I)c1ccc(F)cc1
InChIInChI=1S/C10H7FIN/c11-9-5-3-8(4-6-9)10(12)2-1-7-13/h2-6H,1H2/b10-2+
InChIKeyXVEVJPNNTDZTIK-WTDSWWLTSA-N
XLogP3.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
CID 132524385
1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
CID 122399471
3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
CID 131859274
(E)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
CID 45090787
(Z)-2-(4-fluorophenyl)but-2-enenitrile
CID 11041007
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
CID 57332043
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 141177290
3-(4-fluorophenyl)-5-trimethylsilylpent-2-en-4-yn-1-ol
CID 73448051
2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile?
The IUPAC name of (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile (CID 138984639) is (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile.
What is the SMILES notation for (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile?
The canonical SMILES for (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile is N#CC/C=C(/I)c1ccc(F)cc1.
What is the InChIKey of (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile?
The InChIKey is XVEVJPNNTDZTIK-WTDSWWLTSA-N. The full InChI is InChI=1S/C10H7FIN/c11-9-5-3-8(4-6-9)10(12)2-1-7-13/h2-6H,1H2/b10-2+.
What are the key properties of (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile?
(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile has a molecular weight of 287.08 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile is sourced from PubChem (CID 138984639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).