2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol

C9H11FO2 — CID 142810429

IUPAC2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol
SMILESC=CC(F)C(O)c1ccc(C)o1
InChIInChI=1S/C9H11FO2/c1-3-7(10)9(11)8-5-4-6(2)12-8/h3-5,7,9,11H,1H2,2H3
InChIKeyHLIQKLVXYWHTTJ-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol

2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol (PubChem CID 142810429) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol
PubChem CID142810429
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol
SMILESC=CC(F)C(O)c1ccc(C)o1
InChIInChI=1S/C9H11FO2/c1-3-7(10)9(11)8-5-4-6(2)12-8/h3-5,7,9,11H,1H2,2H3
InChIKeyHLIQKLVXYWHTTJ-UHFFFAOYSA-N
XLogP2.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The IUPAC name of 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol (CID 142810429) is 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol.
What is the SMILES notation for 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The canonical SMILES for 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol is C=CC(F)C(O)c1ccc(C)o1.
What is the InChIKey of 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The InChIKey is HLIQKLVXYWHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-3-7(10)9(11)8-5-4-6(2)12-8/h3-5,7,9,11H,1H2,2H3.
What are the key properties of 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol?
2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol has a molecular weight of 170.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol is sourced from PubChem (CID 142810429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).