2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

C7H8ClF3O2 — CID 57022399

IUPAC2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC1(Cl)C(C(=O)O)C1(C)C(F)(F)F
InChIInChI=1S/C7H8ClF3O2/c1-5(7(9,10)11)3(4(12)13)6(5,2)8/h3H,1-2H3,(H,12,13)
InChIKeyRDMMUGDSPOITSC-UHFFFAOYSA-N
MW216.59 g/mol
LogP2.27
Rot. Bonds1

About 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 57022399) has the molecular formula C7H8ClF3O2 and a molecular weight of 216.59 g/mol. Its IUPAC name is 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID57022399
Molecular FormulaC7H8ClF3O2
Molecular Weight216.59 g/mol
Exact Mass216.02
IUPAC Name2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC1(Cl)C(C(=O)O)C1(C)C(F)(F)F
InChIInChI=1S/C7H8ClF3O2/c1-5(7(9,10)11)3(4(12)13)6(5,2)8/h3H,1-2H3,(H,12,13)
InChIKeyRDMMUGDSPOITSC-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.59
LogP ≤ 52.27
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-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 57022399) is 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is CC1(Cl)C(C(=O)O)C1(C)C(F)(F)F.
What is the InChIKey of 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is RDMMUGDSPOITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3O2/c1-5(7(9,10)11)3(4(12)13)6(5,2)8/h3H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 216.59 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).