(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid

C5H5FO4 — CID 93497127

IUPAC(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)C[C@@H]1F
InChIInChI=1S/C5H5FO4/c6-2-1-5(2,3(7)8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)/t2-/m0/s1
InChIKeyFKEMAYUZSSPUGG-REOHCLBHSA-N
MW148.09 g/mol
LogP-0.12
Rot. Bonds2

About (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid

(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid (PubChem CID 93497127) has the molecular formula C5H5FO4 and a molecular weight of 148.09 g/mol. Its IUPAC name is (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
PubChem CID93497127
Molecular FormulaC5H5FO4
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)C[C@@H]1F
InChIInChI=1S/C5H5FO4/c6-2-1-5(2,3(7)8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)/t2-/m0/s1
InChIKeyFKEMAYUZSSPUGG-REOHCLBHSA-N
XLogP-0.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid?
The IUPAC name of (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid (CID 93497127) is (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid.
What is the SMILES notation for (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid?
The canonical SMILES for (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)C[C@@H]1F.
What is the InChIKey of (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid?
The InChIKey is FKEMAYUZSSPUGG-REOHCLBHSA-N. The full InChI is InChI=1S/C5H5FO4/c6-2-1-5(2,3(7)8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)/t2-/m0/s1.
What are the key properties of (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid?
(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid has a molecular weight of 148.09 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluorocyclopropane-1,1-dicarboxylic acid is sourced from PubChem (CID 93497127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).