(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid

C8H13FO2 — CID 23462513

IUPAC(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid
SMILESCC(C)C(/C=C/CF)C(=O)O
InChIInChI=1S/C8H13FO2/c1-6(2)7(8(10)11)4-3-5-9/h3-4,6-7H,5H2,1-2H3,(H,10,11)/b4-3+
InChIKeyKRVPZEVSAHVRMC-ONEGZZNKSA-N
MW160.19 g/mol
LogP1.87
Rot. Bonds4

About (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid

(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid (PubChem CID 23462513) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid
PubChem CID23462513
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid
SMILESCC(C)C(/C=C/CF)C(=O)O
InChIInChI=1S/C8H13FO2/c1-6(2)7(8(10)11)4-3-5-9/h3-4,6-7H,5H2,1-2H3,(H,10,11)/b4-3+
InChIKeyKRVPZEVSAHVRMC-ONEGZZNKSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-hydroxy-2-propan-2-ylhex-3-enoic acid
CID 126596503
2-[(E)-but-1-enyl]-3-methylbutanedioic acid
CID 21482433
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
4-amino-2-methylbut-3-enoic acid
CID 54452883
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
2,2-difluoroacetic acid;gallane
CID 173230413
2-methylpropanoic acid
CID 173073412
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
2-[(Z)-but-1-enyl]propanedioic acid
CID 139985300
7-fluoro-3-methylhept-4-en-2-one
CID 71330214
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid?
The IUPAC name of (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid (CID 23462513) is (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid.
What is the SMILES notation for (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid?
The canonical SMILES for (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid is CC(C)C(/C=C/CF)C(=O)O.
What is the InChIKey of (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid?
The InChIKey is KRVPZEVSAHVRMC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(2)7(8(10)11)4-3-5-9/h3-4,6-7H,5H2,1-2H3,(H,10,11)/b4-3+.
What are the key properties of (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid?
(E)-5-fluoro-2-propan-2-ylpent-3-enoic acid has a molecular weight of 160.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-2-propan-2-ylpent-3-enoic acid is sourced from PubChem (CID 23462513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).