3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol

C10H11FO3 — CID 11084810

IUPAC3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol
SMILESC=C(c1ccc(F)cc1)C(CO)OO
InChIInChI=1S/C10H11FO3/c1-7(10(6-12)14-13)8-2-4-9(11)5-3-8/h2-5,10,12-13H,1,6H2
InChIKeySAOJSRCNDIJJOK-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.69
Rot. Bonds4

About 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol

3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol (PubChem CID 11084810) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol
PubChem CID11084810
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol
SMILESC=C(c1ccc(F)cc1)C(CO)OO
InChIInChI=1S/C10H11FO3/c1-7(10(6-12)14-13)8-2-4-9(11)5-3-8/h2-5,10,12-13H,1,6H2
InChIKeySAOJSRCNDIJJOK-UHFFFAOYSA-N
XLogP1.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-hydroperoxy-3-(4-methylphenyl)but-3-en-1-ol
CID 10997889
ethyl 3-(4-fluorophenyl)-2-hydroxybut-3-enoate
CID 121013432
1-fluoro-4-[1-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzene
CID 70394045
1-fluoro-4-(3-methylpenta-1,4-dien-2-yl)benzene
CID 86259242
1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
3-[2-(4-bromophenyl)phenyl]-2-hydroperoxybut-3-en-1-ol
CID 91128904
1-(4-fluorophenyl)ethenylsilane
CID 175020263
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 11694212
1-fluoro-4-[1-(2-iodophenyl)ethenyl]benzene
CID 175448497
(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one
CID 139541847
1-(4-fluorophenyl)-3,4-dihydroxybutane-1,2-dione
CID 71037944
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol (CID 11084810) is 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol is C=C(c1ccc(F)cc1)C(CO)OO.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol?
The InChIKey is SAOJSRCNDIJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7(10(6-12)14-13)8-2-4-9(11)5-3-8/h2-5,10,12-13H,1,6H2.
What are the key properties of 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol?
3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol has a molecular weight of 198.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroperoxybut-3-en-1-ol is sourced from PubChem (CID 11084810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).