fluoro 3,6-dichloro-2-hydroxybenzoate

C7H3Cl2FO3 — CID 144820158

IUPACfluoro 3,6-dichloro-2-hydroxybenzoate
SMILESO=C(OF)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C7H3Cl2FO3/c8-3-1-2-4(9)6(11)5(3)7(12)13-10/h1-2,11H
InChIKeyYSFLOBQNRKDLMN-UHFFFAOYSA-N
MW225.00 g/mol
LogP2.74
Rot. Bonds1

About fluoro 3,6-dichloro-2-hydroxybenzoate

fluoro 3,6-dichloro-2-hydroxybenzoate (PubChem CID 144820158) has the molecular formula C7H3Cl2FO3 and a molecular weight of 225.00 g/mol. Its IUPAC name is fluoro 3,6-dichloro-2-hydroxybenzoate.

Molecular Properties

Compound Namefluoro 3,6-dichloro-2-hydroxybenzoate
PubChem CID144820158
Molecular FormulaC7H3Cl2FO3
Molecular Weight225.00 g/mol
Exact Mass223.94
IUPAC Namefluoro 3,6-dichloro-2-hydroxybenzoate
SMILESO=C(OF)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C7H3Cl2FO3/c8-3-1-2-4(9)6(11)5(3)7(12)13-10/h1-2,11H
InChIKeyYSFLOBQNRKDLMN-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 3,6-dichloro-2-hydroxybenzoate?
The IUPAC name of fluoro 3,6-dichloro-2-hydroxybenzoate (CID 144820158) is fluoro 3,6-dichloro-2-hydroxybenzoate.
What is the SMILES notation for fluoro 3,6-dichloro-2-hydroxybenzoate?
The canonical SMILES for fluoro 3,6-dichloro-2-hydroxybenzoate is O=C(OF)c1c(Cl)ccc(Cl)c1O.
What is the InChIKey of fluoro 3,6-dichloro-2-hydroxybenzoate?
The InChIKey is YSFLOBQNRKDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO3/c8-3-1-2-4(9)6(11)5(3)7(12)13-10/h1-2,11H.
What are the key properties of fluoro 3,6-dichloro-2-hydroxybenzoate?
fluoro 3,6-dichloro-2-hydroxybenzoate has a molecular weight of 225.00 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3,6-dichloro-2-hydroxybenzoate is sourced from PubChem (CID 144820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).