2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid

C6H5Cl2NO2 — CID 18475336

IUPAC2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid
SMILESN#CC(C(=O)O)C1CC1(Cl)Cl
InChIInChI=1S/C6H5Cl2NO2/c7-6(8)1-4(6)3(2-9)5(10)11/h3-4H,1H2,(H,10,11)
InChIKeyQUKPAOABNATVHV-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.40
Rot. Bonds2

About 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid

2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid (PubChem CID 18475336) has the molecular formula C6H5Cl2NO2 and a molecular weight of 194.02 g/mol. Its IUPAC name is 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid
PubChem CID18475336
Molecular FormulaC6H5Cl2NO2
Molecular Weight194.02 g/mol
Exact Mass192.97
IUPAC Name2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid
SMILESN#CC(C(=O)O)C1CC1(Cl)Cl
InChIInChI=1S/C6H5Cl2NO2/c7-6(8)1-4(6)3(2-9)5(10)11/h3-4H,1H2,(H,10,11)
InChIKeyQUKPAOABNATVHV-UHFFFAOYSA-N
XLogP1.40
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyano-2-(2,2-dichlorocyclopropyl)acetic acid?
The IUPAC name of 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid (CID 18475336) is 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid.
What is the SMILES notation for 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid?
The canonical SMILES for 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid is N#CC(C(=O)O)C1CC1(Cl)Cl.
What is the InChIKey of 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid?
The InChIKey is QUKPAOABNATVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2/c7-6(8)1-4(6)3(2-9)5(10)11/h3-4H,1H2,(H,10,11).
What are the key properties of 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid?
2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid has a molecular weight of 194.02 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(2,2-dichlorocyclopropyl)acetic acid is sourced from PubChem (CID 18475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).