3-fluoropent-4-en-2-ol

C5H9FO — CID 87206554

IUPAC3-fluoropent-4-en-2-ol
SMILESC=CC(F)C(C)O
InChIInChI=1S/C5H9FO/c1-3-5(6)4(2)7/h3-5,7H,1H2,2H3
InChIKeySDNDLTRUCLYWFH-UHFFFAOYSA-N
MW104.12 g/mol
LogP0.89
Rot. Bonds2

About 3-fluoropent-4-en-2-ol

3-fluoropent-4-en-2-ol (PubChem CID 87206554) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-fluoropent-4-en-2-ol.

Molecular Properties

Compound Name3-fluoropent-4-en-2-ol
PubChem CID87206554
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-fluoropent-4-en-2-ol
SMILESC=CC(F)C(C)O
InChIInChI=1S/C5H9FO/c1-3-5(6)4(2)7/h3-5,7H,1H2,2H3
InChIKeySDNDLTRUCLYWFH-UHFFFAOYSA-N
XLogP0.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.89
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-fluoropent-4-en-2-ol?
The IUPAC name of 3-fluoropent-4-en-2-ol (CID 87206554) is 3-fluoropent-4-en-2-ol.
What is the SMILES notation for 3-fluoropent-4-en-2-ol?
The canonical SMILES for 3-fluoropent-4-en-2-ol is C=CC(F)C(C)O.
What is the InChIKey of 3-fluoropent-4-en-2-ol?
The InChIKey is SDNDLTRUCLYWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3-5(6)4(2)7/h3-5,7H,1H2,2H3.
What are the key properties of 3-fluoropent-4-en-2-ol?
3-fluoropent-4-en-2-ol has a molecular weight of 104.12 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropent-4-en-2-ol is sourced from PubChem (CID 87206554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).