(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid

C8H9FO4 — CID 135221628

IUPAC(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid
SMILESCOC(=O)C1=CC(F)C[C@H]1C(=O)O
InChIInChI=1S/C8H9FO4/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h3-5H,2H2,1H3,(H,10,11)/t4?,5-/m1/s1
InChIKeyJVSHKPHLJRBSOL-BRJRFNKRSA-N
MW188.15 g/mol
LogP0.53
Rot. Bonds2

About (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid

(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid (PubChem CID 135221628) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid
PubChem CID135221628
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid
SMILESCOC(=O)C1=CC(F)C[C@H]1C(=O)O
InChIInChI=1S/C8H9FO4/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h3-5H,2H2,1H3,(H,10,11)/t4?,5-/m1/s1
InChIKeyJVSHKPHLJRBSOL-BRJRFNKRSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid (CID 135221628) is (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid is COC(=O)C1=CC(F)C[C@H]1C(=O)O.
What is the InChIKey of (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid?
The InChIKey is JVSHKPHLJRBSOL-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H9FO4/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h3-5H,2H2,1H3,(H,10,11)/t4?,5-/m1/s1.
What are the key properties of (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid?
(1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid has a molecular weight of 188.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-fluoro-2-methoxycarbonylcyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 135221628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).