2,6-difluorobenzoic acid

C7H4F2O2 — CID 9796

IUPAC2,6-difluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1F
InChIInChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKeyONOTYLMNTZNAQZ-UHFFFAOYSA-N
MW158.10 g/mol
LogP1.66
Rot. Bonds1

About 2,6-difluorobenzoic acid

2,6-difluorobenzoic acid (PubChem CID 9796) has the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol. Its IUPAC name is 2,6-difluorobenzoic acid.

Molecular Properties

Compound Name2,6-difluorobenzoic acid
PubChem CID9796
Molecular FormulaC7H4F2O2
Molecular Weight158.10 g/mol
Exact Mass158.02
IUPAC Name2,6-difluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1F
InChIInChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKeyONOTYLMNTZNAQZ-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzoic Acid
CID 243
Sodium Benzoate
CID 517055
Phthalic Acid
CID 1017
Terephthalic Acid
CID 7489
Isophthalic Acid
CID 8496
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960
2-Mercaptobenzoic Acid
CID 5443
2-Methylbenzoic acid
CID 8373
p-(Chloromercuri)benzoic acid
CID 1730
2,3,5-Triiodobenzoic acid
CID 6948
4-Iodobenzoic acid
CID 12085

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorobenzoic acid?
The IUPAC name of 2,6-difluorobenzoic acid (CID 9796) is 2,6-difluorobenzoic acid.
What is the SMILES notation for 2,6-difluorobenzoic acid?
The canonical SMILES for 2,6-difluorobenzoic acid is O=C(O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluorobenzoic acid?
The InChIKey is ONOTYLMNTZNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11).
What are the key properties of 2,6-difluorobenzoic acid?
2,6-difluorobenzoic acid has a molecular weight of 158.10 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorobenzoic acid is sourced from PubChem (CID 9796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).