4-fluorooct-4-en-1-yn-3-ol

C8H11FO — CID 54531393

IUPAC4-fluorooct-4-en-1-yn-3-ol
SMILESC#CC(O)C(F)=CCCC
InChIInChI=1S/C8H11FO/c1-3-5-6-7(9)8(10)4-2/h2,6,8,10H,3,5H2,1H3
InChIKeyYWUVINGCRKAEFY-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.63
Rot. Bonds3

About 4-fluorooct-4-en-1-yn-3-ol

4-fluorooct-4-en-1-yn-3-ol (PubChem CID 54531393) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 4-fluorooct-4-en-1-yn-3-ol.

Molecular Properties

Compound Name4-fluorooct-4-en-1-yn-3-ol
PubChem CID54531393
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name4-fluorooct-4-en-1-yn-3-ol
SMILESC#CC(O)C(F)=CCCC
InChIInChI=1S/C8H11FO/c1-3-5-6-7(9)8(10)4-2/h2,6,8,10H,3,5H2,1H3
InChIKeyYWUVINGCRKAEFY-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorooct-4-en-1-yn-3-ol?
The IUPAC name of 4-fluorooct-4-en-1-yn-3-ol (CID 54531393) is 4-fluorooct-4-en-1-yn-3-ol.
What is the SMILES notation for 4-fluorooct-4-en-1-yn-3-ol?
The canonical SMILES for 4-fluorooct-4-en-1-yn-3-ol is C#CC(O)C(F)=CCCC.
What is the InChIKey of 4-fluorooct-4-en-1-yn-3-ol?
The InChIKey is YWUVINGCRKAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-3-5-6-7(9)8(10)4-2/h2,6,8,10H,3,5H2,1H3.
What are the key properties of 4-fluorooct-4-en-1-yn-3-ol?
4-fluorooct-4-en-1-yn-3-ol has a molecular weight of 142.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorooct-4-en-1-yn-3-ol is sourced from PubChem (CID 54531393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).