2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride

C6H6Cl2F2N2O2 — CID 71757498

IUPAC2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride
SMILESCl.Cn1c(Cl)cnc1C(F)(F)C(=O)O
InChIInChI=1S/C6H5ClF2N2O2.ClH/c1-11-3(7)2-10-4(11)6(8,9)5(12)13;/h2H,1H3,(H,12,13);1H
InChIKeyXPHXFQODIAVFDY-UHFFFAOYSA-N
MW247.03 g/mol
LogP1.67
Rot. Bonds2

About 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride

2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride (PubChem CID 71757498) has the molecular formula C6H6Cl2F2N2O2 and a molecular weight of 247.03 g/mol. Its IUPAC name is 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride
PubChem CID71757498
Molecular FormulaC6H6Cl2F2N2O2
Molecular Weight247.03 g/mol
Exact Mass245.98
IUPAC Name2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride
SMILESCl.Cn1c(Cl)cnc1C(F)(F)C(=O)O
InChIInChI=1S/C6H5ClF2N2O2.ClH/c1-11-3(7)2-10-4(11)6(8,9)5(12)13;/h2H,1H3,(H,12,13);1H
InChIKeyXPHXFQODIAVFDY-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.03
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride
CID 9549448
(1-Methyl-1H-imidazol-2-yl)acetic acid
CID 23043581
2-(1-methyl-1H-imidazol-2-yl)acetic acid hydrochloride
CID 23043580
2-(1-methyl-1H-imidazol-2-yl)propanoic acid
CID 44177199
3-(2-methyl-1H-imidazol-1-yl)propanoic acid hydrochloride
CID 6602998
3-(2-Ethyl-imidazol-1-yl)-propionic acid
CID 579344
lithium 2,2-difluoro-2-(1-methyl-1H-imidazol-2-yl)acetate
CID 132398863
2-methyl-2-(1-methyl-1H-imidazol-2-yl)propanoic acid hydrochloride
CID 137701373
3-(2-ethyl-1H-imidazol-1-yl)propanoic acid hydrochloride
CID 43810782
1-(2-Carboxyethyl)-3-methylimidazolium chloride
CID 16744085
2-(1-Ethyl-3-methylimidazol-3-ium-2-yl)acetic acid
CID 87109511

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride?
The IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride (CID 71757498) is 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride.
What is the SMILES notation for 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride?
The canonical SMILES for 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride is Cl.Cn1c(Cl)cnc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride?
The InChIKey is XPHXFQODIAVFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O2.ClH/c1-11-3(7)2-10-4(11)6(8,9)5(12)13;/h2H,1H3,(H,12,13);1H.
What are the key properties of 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride?
2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride has a molecular weight of 247.03 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride is sourced from PubChem (CID 71757498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).