3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride

C8H11Cl2FO2 — CID 173434847

IUPAC3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCC1(C)C(C=C(F)Cl)C1C(=O)O.Cl
InChIInChI=1S/C8H10ClFO2.ClH/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);1H
InChIKeyVEESUYVWSIJAIC-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.81
Rot. Bonds2

About 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride

3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 173434847) has the molecular formula C8H11Cl2FO2 and a molecular weight of 229.08 g/mol. Its IUPAC name is 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID173434847
Molecular FormulaC8H11Cl2FO2
Molecular Weight229.08 g/mol
Exact Mass228.01
IUPAC Name3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCC1(C)C(C=C(F)Cl)C1C(=O)O.Cl
InChIInChI=1S/C8H10ClFO2.ClH/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);1H
InChIKeyVEESUYVWSIJAIC-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride (CID 173434847) is 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride is CC1(C)C(C=C(F)Cl)C1C(=O)O.Cl.
What is the InChIKey of 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is VEESUYVWSIJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFO2.ClH/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);1H.
What are the key properties of 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride?
3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 229.08 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 173434847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).