3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C7H10Cl2O2 — CID 20528815

IUPAC3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(Cl)Cl
InChIInChI=1S/C7H10Cl2O2/c1-7(2)3(5(8)9)4(7)6(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyIBXVFEMFZMPAFY-UHFFFAOYSA-N
MW197.06 g/mol
LogP2.15
Rot. Bonds2

About 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 20528815) has the molecular formula C7H10Cl2O2 and a molecular weight of 197.06 g/mol. Its IUPAC name is 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID20528815
Molecular FormulaC7H10Cl2O2
Molecular Weight197.06 g/mol
Exact Mass196.01
IUPAC Name3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(Cl)Cl
InChIInChI=1S/C7H10Cl2O2/c1-7(2)3(5(8)9)4(7)6(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyIBXVFEMFZMPAFY-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopropanecarboxylic acid, 2,2-dichloro-3,3-dimethyl-
CID 13313085
1-(3-Chloropropyl)cyclopropane-1-carboxylic acid
CID 130514627
2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid-"cis major"
CID 12546554
2,2-Dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid
CID 14074824
2,2-Dichloro-3,3-diethylcyclopropane-1-carboxylic acid
CID 19898052
Cis-(2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid
CID 12546555
2,2-Dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid
CID 19898053
2,2-Dimethyl-3-(1,2,2-trichloro-2-fluoroethyl)cyclopropane-1-carboxylic acid
CID 20552241
2-Chloro-3-(fluoromethyl)-2,3-dimethylcyclopropane-1-carboxylic acid
CID 57029447
2-Chloro-3,3-bis(fluoromethyl)-2-methylcyclopropane-1-carboxylic acid
CID 57047526
2-[Chloro(difluoro)methyl]-2-(chloromethyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 57137603
2-(Chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
CID 57234776

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 20528815) is 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(Cl)Cl.
What is the InChIKey of 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is IBXVFEMFZMPAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O2/c1-7(2)3(5(8)9)4(7)6(10)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 197.06 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 20528815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).