2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid

C10H13FO5 — CID 68948346

IUPAC2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid
SMILESCC1=CC[C@@H](O)[C@]1(C)C(F)(C(=O)O)C(=O)O
InChIInChI=1S/C10H13FO5/c1-5-3-4-6(12)9(5,2)10(11,7(13)14)8(15)16/h3,6,12H,4H2,1-2H3,(H,13,14)(H,15,16)/t6-,9-/m1/s1
InChIKeyMSYOIINEGJVNDB-HZGVNTEJSA-N
MW232.21 g/mol
LogP0.58
Rot. Bonds3

About 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid

2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid (PubChem CID 68948346) has the molecular formula C10H13FO5 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid
PubChem CID68948346
Molecular FormulaC10H13FO5
Molecular Weight232.21 g/mol
Exact Mass232.07
IUPAC Name2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid
SMILESCC1=CC[C@@H](O)[C@]1(C)C(F)(C(=O)O)C(=O)O
InChIInChI=1S/C10H13FO5/c1-5-3-4-6(12)9(5,2)10(11,7(13)14)8(15)16/h3,6,12H,4H2,1-2H3,(H,13,14)(H,15,16)/t6-,9-/m1/s1
InChIKeyMSYOIINEGJVNDB-HZGVNTEJSA-N
XLogP0.58
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl fluoro[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]propanedioate
CID 44539493
dimethyl fluoro[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]propanedioate
CID 44539494
1-O-fluoro 3-O-methyl 2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]-2-methylpropanedioate
CID 123386870
2-fluoro-2-[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]propanedioic acid
CID 140148516
2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]propanedioic acid
CID 140206006
(1R,5S)-5-hydroxy-3-methyl-1-prop-2-enylcyclopent-2-ene-1-carboxylic acid
CID 177545959
2-(5-Hydroxy-1-methylcyclopent-2-en-1-yl)acetic acid
CID 21331624
dimethyl 2-[(1S,5R)-5-hydroxycyclopent-2-en-1-yl]propanedioate
CID 68949556
2-[(1S,5R)-5-hydroxy-1-methylcyclopent-2-en-1-yl]-2-methylpropanedioic acid
CID 68949560
Dimethyl 2-(5-hydroxycyclopent-2-en-1-yl)propanedioate
CID 77578048
2-(1-Hydroxyethyl)cyclohex-3-ene-1,2-dicarboxylic acid
CID 174434146
2-(1-Hydroxypropyl)-2-oct-1-enylbutanedioic acid
CID 175334964

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid?
The IUPAC name of 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid (CID 68948346) is 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid.
What is the SMILES notation for 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid?
The canonical SMILES for 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid is CC1=CC[C@@H](O)[C@]1(C)C(F)(C(=O)O)C(=O)O.
What is the InChIKey of 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid?
The InChIKey is MSYOIINEGJVNDB-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H13FO5/c1-5-3-4-6(12)9(5,2)10(11,7(13)14)8(15)16/h3,6,12H,4H2,1-2H3,(H,13,14)(H,15,16)/t6-,9-/m1/s1.
What are the key properties of 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid?
2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid has a molecular weight of 232.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(1R,5R)-5-hydroxy-1,2-dimethylcyclopent-2-en-1-yl]propanedioic acid is sourced from PubChem (CID 68948346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).