3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol

C8H13FO — CID 163674820

IUPAC3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol
SMILESC=CC(F)(CCO)C(=C)C
InChIInChI=1S/C8H13FO/c1-4-8(9,5-6-10)7(2)3/h4,10H,1-2,5-6H2,3H3
InChIKeyJFTACJHXLVKVCN-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.84
Rot. Bonds4

About 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol

3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol (PubChem CID 163674820) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol
PubChem CID163674820
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol
SMILESC=CC(F)(CCO)C(=C)C
InChIInChI=1S/C8H13FO/c1-4-8(9,5-6-10)7(2)3/h4,10H,1-2,5-6H2,3H3
InChIKeyJFTACJHXLVKVCN-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol?
The IUPAC name of 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol (CID 163674820) is 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol.
What is the SMILES notation for 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol?
The canonical SMILES for 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol is C=CC(F)(CCO)C(=C)C.
What is the InChIKey of 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol?
The InChIKey is JFTACJHXLVKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-8(9,5-6-10)7(2)3/h4,10H,1-2,5-6H2,3H3.
What are the key properties of 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol?
3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol has a molecular weight of 144.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol is sourced from PubChem (CID 163674820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).