(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one

C11H10FIO2 — CID 11347743

IUPAC(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one
SMILESCC(=O)/C=C(\I)COc1ccc(F)cc1
InChIInChI=1S/C11H10FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3/b10-6-
InChIKeyBAFUPIOTTSHOSJ-POHAHGRESA-N
MW320.10 g/mol
LogP3.11
Rot. Bonds4

About (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one

(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one (PubChem CID 11347743) has the molecular formula C11H10FIO2 and a molecular weight of 320.10 g/mol. Its IUPAC name is (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one
PubChem CID11347743
Molecular FormulaC11H10FIO2
Molecular Weight320.10 g/mol
Exact Mass319.97
IUPAC Name(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one
SMILESCC(=O)/C=C(\I)COc1ccc(F)cc1
InChIInChI=1S/C11H10FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3/b10-6-
InChIKeyBAFUPIOTTSHOSJ-POHAHGRESA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-fluorophenoxy)acetate
CID 580550
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6-(4-fluorophenoxy)hexan-2-one
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2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 133123523
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one?
The IUPAC name of (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one (CID 11347743) is (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one.
What is the SMILES notation for (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one?
The canonical SMILES for (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one is CC(=O)/C=C(\I)COc1ccc(F)cc1.
What is the InChIKey of (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one?
The InChIKey is BAFUPIOTTSHOSJ-POHAHGRESA-N. The full InChI is InChI=1S/C11H10FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3/b10-6-.
What are the key properties of (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one?
(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one has a molecular weight of 320.10 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one is sourced from PubChem (CID 11347743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).