2-fluoro-2-propylpent-4-enoic acid

C8H13FO2 — CID 10351967

IUPAC2-fluoro-2-propylpent-4-enoic acid
SMILESC=CCC(F)(CCC)C(=O)O
InChIInChI=1S/C8H13FO2/c1-3-5-8(9,6-4-2)7(10)11/h3H,1,4-6H2,2H3,(H,10,11)
InChIKeyCYSFMOXXKZIWLO-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.16
Rot. Bonds5

About 2-fluoro-2-propylpent-4-enoic acid

2-fluoro-2-propylpent-4-enoic acid (PubChem CID 10351967) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-2-propylpent-4-enoic acid.

Molecular Properties

Compound Name2-fluoro-2-propylpent-4-enoic acid
PubChem CID10351967
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name2-fluoro-2-propylpent-4-enoic acid
SMILESC=CCC(F)(CCC)C(=O)O
InChIInChI=1S/C8H13FO2/c1-3-5-8(9,6-4-2)7(10)11/h3H,1,4-6H2,2H3,(H,10,11)
InChIKeyCYSFMOXXKZIWLO-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.16
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 2-fluoro-2-propylpent-4-enoic acid?
The IUPAC name of 2-fluoro-2-propylpent-4-enoic acid (CID 10351967) is 2-fluoro-2-propylpent-4-enoic acid.
What is the SMILES notation for 2-fluoro-2-propylpent-4-enoic acid?
The canonical SMILES for 2-fluoro-2-propylpent-4-enoic acid is C=CCC(F)(CCC)C(=O)O.
What is the InChIKey of 2-fluoro-2-propylpent-4-enoic acid?
The InChIKey is CYSFMOXXKZIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-3-5-8(9,6-4-2)7(10)11/h3H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 2-fluoro-2-propylpent-4-enoic acid?
2-fluoro-2-propylpent-4-enoic acid has a molecular weight of 160.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propylpent-4-enoic acid is sourced from PubChem (CID 10351967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).