2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride

C5H5ClF2N2O2 — CID 71758072

IUPAC2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C5H4F2N2O2.ClH/c6-5(7,4(10)11)3-8-1-2-9-3;/h1-2H,(H,8,9)(H,10,11);1H
InChIKeyXCNCGGJBYVYNBF-UHFFFAOYSA-N
MW198.56 g/mol
LogP1.01
Rot. Bonds2

About 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride

2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride (PubChem CID 71758072) has the molecular formula C5H5ClF2N2O2 and a molecular weight of 198.56 g/mol. Its IUPAC name is 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride
PubChem CID71758072
Molecular FormulaC5H5ClF2N2O2
Molecular Weight198.56 g/mol
Exact Mass198.00
IUPAC Name2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C5H4F2N2O2.ClH/c6-5(7,4(10)11)3-8-1-2-9-3;/h1-2H,(H,8,9)(H,10,11);1H
InChIKeyXCNCGGJBYVYNBF-UHFFFAOYSA-N
XLogP1.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.56
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride (CID 71758072) is 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride is Cl.O=C(O)C(F)(F)c1ncc[nH]1.
What is the InChIKey of 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride?
The InChIKey is XCNCGGJBYVYNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2.ClH/c6-5(7,4(10)11)3-8-1-2-9-3;/h1-2H,(H,8,9)(H,10,11);1H.
What are the key properties of 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride?
2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride has a molecular weight of 198.56 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 71758072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).