2-chloro-2,2-difluoroacetic acid;hydrochloride

C2H2Cl2F2O2 — CID 87442212

IUPAC2-chloro-2,2-difluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)Cl
InChIInChI=1S/C2HClF2O2.ClH/c3-2(4,5)1(6)7;/h(H,6,7);1H
InChIKeyNAEZBCMZPLORRN-UHFFFAOYSA-N
MW166.94 g/mol
LogP1.32
Rot. Bonds1

About 2-chloro-2,2-difluoroacetic acid;hydrochloride

2-chloro-2,2-difluoroacetic acid;hydrochloride (PubChem CID 87442212) has the molecular formula C2H2Cl2F2O2 and a molecular weight of 166.94 g/mol. Its IUPAC name is 2-chloro-2,2-difluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name2-chloro-2,2-difluoroacetic acid;hydrochloride
PubChem CID87442212
Molecular FormulaC2H2Cl2F2O2
Molecular Weight166.94 g/mol
Exact Mass165.94
IUPAC Name2-chloro-2,2-difluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)Cl
InChIInChI=1S/C2HClF2O2.ClH/c3-2(4,5)1(6)7;/h(H,6,7);1H
InChIKeyNAEZBCMZPLORRN-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.94
LogP ≤ 51.32
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-2,2-difluoroacetic acid;hydrochloride?
The IUPAC name of 2-chloro-2,2-difluoroacetic acid;hydrochloride (CID 87442212) is 2-chloro-2,2-difluoroacetic acid;hydrochloride.
What is the SMILES notation for 2-chloro-2,2-difluoroacetic acid;hydrochloride?
The canonical SMILES for 2-chloro-2,2-difluoroacetic acid;hydrochloride is Cl.O=C(O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoroacetic acid;hydrochloride?
The InChIKey is NAEZBCMZPLORRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.ClH/c3-2(4,5)1(6)7;/h(H,6,7);1H.
What are the key properties of 2-chloro-2,2-difluoroacetic acid;hydrochloride?
2-chloro-2,2-difluoroacetic acid;hydrochloride has a molecular weight of 166.94 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoroacetic acid;hydrochloride is sourced from PubChem (CID 87442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).