2-fluoro-3-methylpent-2-enoic acid

C6H9FO2 — CID 73188166

IUPAC2-fluoro-3-methylpent-2-enoic acid
SMILESCCC(C)=C(F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyZISMJRBSWOLTFI-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.72
Rot. Bonds2

About 2-fluoro-3-methylpent-2-enoic acid

2-fluoro-3-methylpent-2-enoic acid (PubChem CID 73188166) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-fluoro-3-methylpent-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-methylpent-2-enoic acid
PubChem CID73188166
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-fluoro-3-methylpent-2-enoic acid
SMILESCCC(C)=C(F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyZISMJRBSWOLTFI-UHFFFAOYSA-N
XLogP1.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-hydroxy-3-methylpent-2-enoic acid
CID 23161417
(E)-2-fluoro-3-methylbut-2-enedioic acid
CID 90022870
propanoic acid;zirconium
CID 88666887
(Z)-3,4-dimethylhex-3-enoic acid
CID 55301212
carbonic acid;propane
CID 87396872
carbanide;propanoic acid;zirconium
CID 88665928
hexakis(carbonofluoridic acid);methane;propane
CID 175003662
CID 131870939
CID 131870939
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
2-butan-2-ylideneoctanoic acid
CID 173391437
2-butan-2-ylidenehex-3-enoic acid
CID 123237351
butan-2-one;2-methylprop-2-enoic acid
CID 18674562

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylpent-2-enoic acid?
The IUPAC name of 2-fluoro-3-methylpent-2-enoic acid (CID 73188166) is 2-fluoro-3-methylpent-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-methylpent-2-enoic acid?
The canonical SMILES for 2-fluoro-3-methylpent-2-enoic acid is CCC(C)=C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-methylpent-2-enoic acid?
The InChIKey is ZISMJRBSWOLTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3H2,1-2H3,(H,8,9).
What are the key properties of 2-fluoro-3-methylpent-2-enoic acid?
2-fluoro-3-methylpent-2-enoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylpent-2-enoic acid is sourced from PubChem (CID 73188166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).