4-chloro-2-fluorophenolate

C6H3ClFO- — CID 154609677

IUPAC4-chloro-2-fluorophenolate
SMILES[O-]c1ccc(Cl)cc1F
InChIInChI=1S/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/p-1
InChIKeyZKMUKBBWORLNLA-UHFFFAOYSA-M
MW145.54 g/mol
LogP1.55
Rot. Bonds

About 4-chloro-2-fluorophenolate

4-chloro-2-fluorophenolate (PubChem CID 154609677) has the molecular formula C6H3ClFO- and a molecular weight of 145.54 g/mol. Its IUPAC name is 4-chloro-2-fluorophenolate.

Molecular Properties

Compound Name4-chloro-2-fluorophenolate
PubChem CID154609677
Molecular FormulaC6H3ClFO-
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name4-chloro-2-fluorophenolate
SMILES[O-]c1ccc(Cl)cc1F
InChIInChI=1S/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/p-1
InChIKeyZKMUKBBWORLNLA-UHFFFAOYSA-M
XLogP1.55
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorophenolate?
The IUPAC name of 4-chloro-2-fluorophenolate (CID 154609677) is 4-chloro-2-fluorophenolate.
What is the SMILES notation for 4-chloro-2-fluorophenolate?
The canonical SMILES for 4-chloro-2-fluorophenolate is [O-]c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluorophenolate?
The InChIKey is ZKMUKBBWORLNLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/p-1.
What are the key properties of 4-chloro-2-fluorophenolate?
4-chloro-2-fluorophenolate has a molecular weight of 145.54 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluorophenolate is sourced from PubChem (CID 154609677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).