(2R,3S)-2-fluoro-3-methylpent-4-enoic acid

C6H9FO2 — CID 10887943

IUPAC(2R,3S)-2-fluoro-3-methylpent-4-enoic acid
SMILESC=C[C@H](C)[C@@H](F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3-5H,1H2,2H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyDBOXMANNAFULMX-CRCLSJGQSA-N
MW132.13 g/mol
LogP1.23
Rot. Bonds3

About (2R,3S)-2-fluoro-3-methylpent-4-enoic acid

(2R,3S)-2-fluoro-3-methylpent-4-enoic acid (PubChem CID 10887943) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-3-methylpent-4-enoic acid.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-3-methylpent-4-enoic acid
PubChem CID10887943
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name(2R,3S)-2-fluoro-3-methylpent-4-enoic acid
SMILESC=C[C@H](C)[C@@H](F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3-5H,1H2,2H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyDBOXMANNAFULMX-CRCLSJGQSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-pentenoic acid
CID 549519
2,2-Dimethyl-4-pentenoic acid
CID 140065
3-Methyl-4-pentenoic acid
CID 3456032
Diallylacetic acid
CID 12610509
2-Ethylpent-4-enoic acid
CID 297238
(2R)-2-Methylpent-4-enoic acid
CID 7167861
(4E)-2-methylhex-4-enoic acid
CID 10290806
3,3-Dimethylpent-4-enoic acid
CID 10630499
2-Methyl-5-hexenoic acid
CID 10701854
2-Ethylbut-3-enoic acid
CID 18793227
2,3-Dimethylpent-4-enoic acid
CID 544071
4-Pentenoic acid, 2-(trifluoromethyl)-
CID 11805141

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-3-methylpent-4-enoic acid?
The IUPAC name of (2R,3S)-2-fluoro-3-methylpent-4-enoic acid (CID 10887943) is (2R,3S)-2-fluoro-3-methylpent-4-enoic acid.
What is the SMILES notation for (2R,3S)-2-fluoro-3-methylpent-4-enoic acid?
The canonical SMILES for (2R,3S)-2-fluoro-3-methylpent-4-enoic acid is C=C[C@H](C)[C@@H](F)C(=O)O.
What is the InChIKey of (2R,3S)-2-fluoro-3-methylpent-4-enoic acid?
The InChIKey is DBOXMANNAFULMX-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-4(2)5(7)6(8)9/h3-5H,1H2,2H3,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-2-fluoro-3-methylpent-4-enoic acid?
(2R,3S)-2-fluoro-3-methylpent-4-enoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-3-methylpent-4-enoic acid is sourced from PubChem (CID 10887943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).