acetic acid;bis(2,2,2-trifluoroacetic acid)

C6H6F6O6 — CID 87799840

IUPACacetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C2HF3O2.C2H4O2/c2*3-2(4,5)1(6)7;1-2(3)4/h2*(H,6,7);1H3,(H,3,4)
InChIKeySLORFTKXKGVINN-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.36
Rot. Bonds

About acetic acid;bis(2,2,2-trifluoroacetic acid)

acetic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87799840) has the molecular formula C6H6F6O6 and a molecular weight of 288.10 g/mol. Its IUPAC name is acetic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameacetic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID87799840
Molecular FormulaC6H6F6O6
Molecular Weight288.10 g/mol
Exact Mass288.01
IUPAC Nameacetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C2HF3O2.C2H4O2/c2*3-2(4,5)1(6)7;1-2(3)4/h2*(H,6,7);1H3,(H,3,4)
InChIKeySLORFTKXKGVINN-UHFFFAOYSA-N
XLogP1.36
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
acetic acid;pyrazine;2,2,2-trifluoroacetic acid
CID 174725672
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of acetic acid;bis(2,2,2-trifluoroacetic acid) (CID 87799840) is acetic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for acetic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for acetic acid;bis(2,2,2-trifluoroacetic acid) is CC(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of acetic acid;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SLORFTKXKGVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HF3O2.C2H4O2/c2*3-2(4,5)1(6)7;1-2(3)4/h2*(H,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;bis(2,2,2-trifluoroacetic acid)?
acetic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 288.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87799840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).