2-[(1R,2S)-2-fluorocyclopropyl]acetic acid

C5H7FO2 — CID 162187891

IUPAC2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C5H7FO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyZPXAHTIQEUCDFS-IMJSIDKUSA-N
MW118.11 g/mol
LogP0.82
Rot. Bonds2

About 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid

2-[(1R,2S)-2-fluorocyclopropyl]acetic acid (PubChem CID 162187891) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
PubChem CID162187891
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C5H7FO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyZPXAHTIQEUCDFS-IMJSIDKUSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylcyclopropanecarboxylic acid
CID 99873
rel-(1R,2R)-2-Methylcyclopropanecarboxylic acid
CID 6995705
Cyclopropaneacetic acid
CID 138440
Sbb069055
CID 6995703
cis-2-Fluorocyclopropanecarboxylic acid
CID 9793716
(1R,2R)-2-fluorocyclopropane-1-carboxylic acid
CID 10011855
1-Fluorocyclobutanecarboxylic acid
CID 21187532
(2S)-2-Fluoro-4-methylpentanoic acid
CID 45933761
rac-(1R,2S)-2-fluorocyclopropane-1-carboxylic acid
CID 10103129
2-Fluorocyclopropane-1-carboxylic acid
CID 10125050
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
2-Fluoro-3-methylpentanoic acid
CID 256896

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid (CID 162187891) is 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid is O=C(O)C[C@@H]1C[C@@H]1F.
What is the InChIKey of 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid?
The InChIKey is ZPXAHTIQEUCDFS-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H7FO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid?
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid has a molecular weight of 118.11 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-fluorocyclopropyl]acetic acid is sourced from PubChem (CID 162187891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).