2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid

C7H10ClFO2 — CID 57234776

IUPAC2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(F)C(C(=O)O)C1(C)CCl
InChIInChI=1S/C7H10ClFO2/c1-6(3-8)4(5(10)11)7(6,2)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyWQWPFSNEDFYFHB-UHFFFAOYSA-N
MW180.61 g/mol
LogP1.67
Rot. Bonds2

About 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid

2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 57234776) has the molecular formula C7H10ClFO2 and a molecular weight of 180.61 g/mol. Its IUPAC name is 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID57234776
Molecular FormulaC7H10ClFO2
Molecular Weight180.61 g/mol
Exact Mass180.04
IUPAC Name2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(F)C(C(=O)O)C1(C)CCl
InChIInChI=1S/C7H10ClFO2/c1-6(3-8)4(5(10)11)7(6,2)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyWQWPFSNEDFYFHB-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 51.67
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-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid (CID 57234776) is 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid is CC1(F)C(C(=O)O)C1(C)CCl.
What is the InChIKey of 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is WQWPFSNEDFYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO2/c1-6(3-8)4(5(10)11)7(6,2)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 180.61 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57234776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).