2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride

C7H6F8O2 — CID 175062708

IUPAC2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
SMILESF.F.F.F.O=C(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O2.4FH/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);4*1H
InChIKeyWGDWSLPSEFSLKQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.55
Rot. Bonds1

About 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride

2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride (PubChem CID 175062708) has the molecular formula C7H6F8O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
PubChem CID175062708
Molecular FormulaC7H6F8O2
Molecular Weight274.11 g/mol
Exact Mass274.02
IUPAC Name2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
SMILESF.F.F.F.O=C(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O2.4FH/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);4*1H
InChIKeyWGDWSLPSEFSLKQ-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288
2,3-difluoro-5-hydroxybenzoic acid
CID 26596765
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
3,4,5,7,8-pentafluoronaphthalene-2-carboxylic acid
CID 100982612
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
3,4,5-trifluoro-2-prop-1-ynylbenzoic acid
CID 57454517
2,4,5-trifluoro-3-formamidobenzoic acid
CID 168651424
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
3-benzyl-2,4,5-trifluorobenzoic acid
CID 139623097
3-ethoxy-2,4,5-trifluorobenzoic acid
CID 10632694

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride?
The IUPAC name of 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride (CID 175062708) is 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride?
The canonical SMILES for 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride is F.F.F.F.O=C(O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride?
The InChIKey is WGDWSLPSEFSLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4O2.4FH/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);4*1H.
What are the key properties of 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride?
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride has a molecular weight of 274.11 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride is sourced from PubChem (CID 175062708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).