(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide

C9H6FIO2 — CID 163931777

IUPAC(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide
SMILESO=C(I)/C=C/c1ccc(F)c(O)c1
InChIInChI=1S/C9H6FIO2/c10-7-3-1-6(5-8(7)12)2-4-9(11)13/h1-5,12H/b4-2+
InChIKeyRJGLMKYDFNQNON-DUXPYHPUSA-N
MW292.05 g/mol
LogP2.51
Rot. Bonds2

About (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide

(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide (PubChem CID 163931777) has the molecular formula C9H6FIO2 and a molecular weight of 292.05 g/mol. Its IUPAC name is (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide.

Molecular Properties

Compound Name(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide
PubChem CID163931777
Molecular FormulaC9H6FIO2
Molecular Weight292.05 g/mol
Exact Mass291.94
IUPAC Name(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide
SMILESO=C(I)/C=C/c1ccc(F)c(O)c1
InChIInChI=1S/C9H6FIO2/c10-7-3-1-6(5-8(7)12)2-4-9(11)13/h1-5,12H/b4-2+
InChIKeyRJGLMKYDFNQNON-DUXPYHPUSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 163966610
(E)-4-(4-fluoro-3-hydroxyphenyl)-1-[2-(phenoxymethyl)phenyl]but-3-en-2-one
CID 58387430
(E)-3-(4-fluoro-3-iodophenyl)prop-2-enoic acid
CID 91757423
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
4-fluoro-3-hydroxybenzaldehyde;tribromoborane
CID 160631935
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one
CID 162168927
(E)-1-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 14977361
N,3-bis(3,4-difluorophenyl)prop-2-enamide
CID 71420101
(Z)-3-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707388
1-(4-fluoro-3-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553866
3-(3,4-dihydroxyphenyl)prop-2-enethioic S-acid
CID 78183914

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide?
The IUPAC name of (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide (CID 163931777) is (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide.
What is the SMILES notation for (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide?
The canonical SMILES for (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide is O=C(I)/C=C/c1ccc(F)c(O)c1.
What is the InChIKey of (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide?
The InChIKey is RJGLMKYDFNQNON-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H6FIO2/c10-7-3-1-6(5-8(7)12)2-4-9(11)13/h1-5,12H/b4-2+.
What are the key properties of (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide?
(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide has a molecular weight of 292.05 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide is sourced from PubChem (CID 163931777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).