2,2,2-trifluoroacetic acid;trihydrofluoride

C2H4F6O2 — CID 171927516

IUPAC2,2,2-trifluoroacetic acid;trihydrofluoride
SMILESF.F.F.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.3FH/c3-2(4,5)1(6)7;;;/h(H,6,7);3*1H
InChIKeyLRSOFEFXMQMMPY-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.09
Rot. Bonds

About 2,2,2-trifluoroacetic acid;trihydrofluoride

2,2,2-trifluoroacetic acid;trihydrofluoride (PubChem CID 171927516) has the molecular formula C2H4F6O2 and a molecular weight of 174.04 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;trihydrofluoride.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;trihydrofluoride
PubChem CID171927516
Molecular FormulaC2H4F6O2
Molecular Weight174.04 g/mol
Exact Mass174.01
IUPAC Name2,2,2-trifluoroacetic acid;trihydrofluoride
SMILESF.F.F.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.3FH/c3-2(4,5)1(6)7;;;/h(H,6,7);3*1H
InChIKeyLRSOFEFXMQMMPY-UHFFFAOYSA-N
XLogP1.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoroacetic acid;trihydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
CID 175908128
CID 175908128

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;trihydrofluoride?
The IUPAC name of 2,2,2-trifluoroacetic acid;trihydrofluoride (CID 171927516) is 2,2,2-trifluoroacetic acid;trihydrofluoride.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;trihydrofluoride?
The canonical SMILES for 2,2,2-trifluoroacetic acid;trihydrofluoride is F.F.F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;trihydrofluoride?
The InChIKey is LRSOFEFXMQMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.3FH/c3-2(4,5)1(6)7;;;/h(H,6,7);3*1H.
What are the key properties of 2,2,2-trifluoroacetic acid;trihydrofluoride?
2,2,2-trifluoroacetic acid;trihydrofluoride has a molecular weight of 174.04 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;trihydrofluoride is sourced from PubChem (CID 171927516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).