5-chloro-2-(difluoromethoxy)benzoic acid

C8H5ClF2O3 — CID 43141857

IUPAC5-chloro-2-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C8H5ClF2O3/c9-4-1-2-6(14-8(10)11)5(3-4)7(12)13/h1-3,8H,(H,12,13)
InChIKeyAYTCUQGQENXYEG-UHFFFAOYSA-N
MW222.57 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-2-(difluoromethoxy)benzoic acid

5-chloro-2-(difluoromethoxy)benzoic acid (PubChem CID 43141857) has the molecular formula C8H5ClF2O3 and a molecular weight of 222.57 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)benzoic acid
PubChem CID43141857
Molecular FormulaC8H5ClF2O3
Molecular Weight222.57 g/mol
Exact Mass221.99
IUPAC Name5-chloro-2-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C8H5ClF2O3/c9-4-1-2-6(14-8(10)11)5(3-4)7(12)13/h1-3,8H,(H,12,13)
InChIKeyAYTCUQGQENXYEG-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(difluoromethoxy)benzoic acid (CID 43141857) is 5-chloro-2-(difluoromethoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)benzoic acid is O=C(O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)benzoic acid?
The InChIKey is AYTCUQGQENXYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O3/c9-4-1-2-6(14-8(10)11)5(3-4)7(12)13/h1-3,8H,(H,12,13).
What are the key properties of 5-chloro-2-(difluoromethoxy)benzoic acid?
5-chloro-2-(difluoromethoxy)benzoic acid has a molecular weight of 222.57 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)benzoic acid is sourced from PubChem (CID 43141857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).