2,2-difluoroacetic acid;gallane

C2H5F2GaO2 — CID 173230413

IUPAC2,2-difluoroacetic acid;gallane
SMILESO=C(O)C(F)F.[GaH3]
InChIInChI=1S/C2H2F2O2.Ga.3H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;
InChIKeyBMVUPLJHLSUGHE-UHFFFAOYSA-N
MW168.78 g/mol
LogP-0.85
Rot. Bonds1

About 2,2-difluoroacetic acid;gallane

2,2-difluoroacetic acid;gallane (PubChem CID 173230413) has the molecular formula C2H5F2GaO2 and a molecular weight of 168.78 g/mol. Its IUPAC name is 2,2-difluoroacetic acid;gallane.

Molecular Properties

Compound Name2,2-difluoroacetic acid;gallane
PubChem CID173230413
Molecular FormulaC2H5F2GaO2
Molecular Weight168.78 g/mol
Exact Mass167.95
IUPAC Name2,2-difluoroacetic acid;gallane
SMILESO=C(O)C(F)F.[GaH3]
InChIInChI=1S/C2H2F2O2.Ga.3H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;
InChIKeyBMVUPLJHLSUGHE-UHFFFAOYSA-N
XLogP-0.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.78
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroacetic acid;gallane?
The IUPAC name of 2,2-difluoroacetic acid;gallane (CID 173230413) is 2,2-difluoroacetic acid;gallane.
What is the SMILES notation for 2,2-difluoroacetic acid;gallane?
The canonical SMILES for 2,2-difluoroacetic acid;gallane is O=C(O)C(F)F.[GaH3].
What is the InChIKey of 2,2-difluoroacetic acid;gallane?
The InChIKey is BMVUPLJHLSUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O2.Ga.3H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;.
What are the key properties of 2,2-difluoroacetic acid;gallane?
2,2-difluoroacetic acid;gallane has a molecular weight of 168.78 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroacetic acid;gallane is sourced from PubChem (CID 173230413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).