2-[(1R)-2,2-dichlorocyclopropyl]acetic acid

C5H6Cl2O2 — CID 99811196

IUPAC2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)/t3-/m1/s1
InChIKeyFVVDYMMSTXTQKI-GSVOUGTGSA-N
MW169.01 g/mol
LogP1.65
Rot. Bonds2

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

2-[(1R)-2,2-dichlorocyclopropyl]acetic acid (PubChem CID 99811196) has the molecular formula C5H6Cl2O2 and a molecular weight of 169.01 g/mol. Its IUPAC name is 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
PubChem CID99811196
Molecular FormulaC5H6Cl2O2
Molecular Weight169.01 g/mol
Exact Mass167.97
IUPAC Name2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)/t3-/m1/s1
InChIKeyFVVDYMMSTXTQKI-GSVOUGTGSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid?
The IUPAC name of 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid (CID 99811196) is 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid is O=C(O)C[C@@H]1CC1(Cl)Cl.
What is the InChIKey of 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid?
The InChIKey is FVVDYMMSTXTQKI-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6Cl2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)/t3-/m1/s1.
What are the key properties of 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid?
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid has a molecular weight of 169.01 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-dichlorocyclopropyl]acetic acid is sourced from PubChem (CID 99811196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).