terephthalic acid;dihydrofluoride

C8H8F2O4 — CID 70485309

IUPACterephthalic acid;dihydrofluoride
SMILESF.F.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.2FH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H
InChIKeyZNRNBXOIJRFSPQ-UHFFFAOYSA-N
MW206.14 g/mol
LogP1.39
Rot. Bonds2

About terephthalic acid;dihydrofluoride

terephthalic acid;dihydrofluoride (PubChem CID 70485309) has the molecular formula C8H8F2O4 and a molecular weight of 206.14 g/mol. Its IUPAC name is terephthalic acid;dihydrofluoride.

Molecular Properties

Compound Nameterephthalic acid;dihydrofluoride
PubChem CID70485309
Molecular FormulaC8H8F2O4
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Nameterephthalic acid;dihydrofluoride
SMILESF.F.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.2FH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H
InChIKeyZNRNBXOIJRFSPQ-UHFFFAOYSA-N
XLogP1.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267
ethene;terephthalic acid
CID 18755810
cobalt;nickel;terephthalic acid
CID 175016500
lithium;copper;hydride;terephthalic acid
CID 175298386
acetic acid;terephthalic acid
CID 158530154
bromoruthenium;terephthalic acid
CID 87470713

Frequently Asked Questions

What is the IUPAC name of terephthalic acid;dihydrofluoride?
The IUPAC name of terephthalic acid;dihydrofluoride (CID 70485309) is terephthalic acid;dihydrofluoride.
What is the SMILES notation for terephthalic acid;dihydrofluoride?
The canonical SMILES for terephthalic acid;dihydrofluoride is F.F.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of terephthalic acid;dihydrofluoride?
The InChIKey is ZNRNBXOIJRFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2FH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H.
What are the key properties of terephthalic acid;dihydrofluoride?
terephthalic acid;dihydrofluoride has a molecular weight of 206.14 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for terephthalic acid;dihydrofluoride is sourced from PubChem (CID 70485309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).