2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid

C6H7Cl2FO2 — CID 19898053

IUPAC2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cl)(Cl)C1(F)C(=O)O
InChIInChI=1S/C6H7Cl2FO2/c1-4(2)5(9,3(10)11)6(4,7)8/h1-2H3,(H,10,11)
InChIKeyQXAXQSMPKUHBQT-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.99
Rot. Bonds1

About 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid

2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 19898053) has the molecular formula C6H7Cl2FO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID19898053
Molecular FormulaC6H7Cl2FO2
Molecular Weight201.02 g/mol
Exact Mass199.98
IUPAC Name2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cl)(Cl)C1(F)C(=O)O
InChIInChI=1S/C6H7Cl2FO2/c1-4(2)5(9,3(10)11)6(4,7)8/h1-2H3,(H,10,11)
InChIKeyQXAXQSMPKUHBQT-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid (CID 19898053) is 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(Cl)(Cl)C1(F)C(=O)O.
What is the InChIKey of 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is QXAXQSMPKUHBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2FO2/c1-4(2)5(9,3(10)11)6(4,7)8/h1-2H3,(H,10,11).
What are the key properties of 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 201.02 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 19898053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).