2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid

C8H11FO3 — CID 79367460

IUPAC2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid
SMILESCC1=CC(O)(C(F)C(=O)O)CC1
InChIInChI=1S/C8H11FO3/c1-5-2-3-8(12,4-5)6(9)7(10)11/h4,6,12H,2-3H2,1H3,(H,10,11)
InChIKeyNMDPABOPWQRMRB-UHFFFAOYSA-N
MW174.17 g/mol
LogP0.88
Rot. Bonds2

About 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid

2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid (PubChem CID 79367460) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid
PubChem CID79367460
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid
SMILESCC1=CC(O)(C(F)C(=O)O)CC1
InChIInChI=1S/C8H11FO3/c1-5-2-3-8(12,4-5)6(9)7(10)11/h4,6,12H,2-3H2,1H3,(H,10,11)
InChIKeyNMDPABOPWQRMRB-UHFFFAOYSA-N
XLogP0.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid (CID 79367460) is 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid is CC1=CC(O)(C(F)C(=O)O)CC1.
What is the InChIKey of 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid?
The InChIKey is NMDPABOPWQRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c1-5-2-3-8(12,4-5)6(9)7(10)11/h4,6,12H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid?
2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid has a molecular weight of 174.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetic acid is sourced from PubChem (CID 79367460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).