2-(fluoromethoxy)benzoic acid;hydrochloride

C8H8ClFO3 — CID 141112682

IUPAC2-(fluoromethoxy)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1OCF
InChIInChI=1S/C8H7FO3.ClH/c9-5-12-7-4-2-1-3-6(7)8(10)11;/h1-4H,5H2,(H,10,11);1H
InChIKeyNLBUWDMPUROCTG-UHFFFAOYSA-N
MW206.60 g/mol
LogP2.11
Rot. Bonds3

About 2-(fluoromethoxy)benzoic acid;hydrochloride

2-(fluoromethoxy)benzoic acid;hydrochloride (PubChem CID 141112682) has the molecular formula C8H8ClFO3 and a molecular weight of 206.60 g/mol. Its IUPAC name is 2-(fluoromethoxy)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-(fluoromethoxy)benzoic acid;hydrochloride
PubChem CID141112682
Molecular FormulaC8H8ClFO3
Molecular Weight206.60 g/mol
Exact Mass206.01
IUPAC Name2-(fluoromethoxy)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1OCF
InChIInChI=1S/C8H7FO3.ClH/c9-5-12-7-4-2-1-3-6(7)8(10)11;/h1-4H,5H2,(H,10,11);1H
InChIKeyNLBUWDMPUROCTG-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.60
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)benzoic acid;hydrochloride?
The IUPAC name of 2-(fluoromethoxy)benzoic acid;hydrochloride (CID 141112682) is 2-(fluoromethoxy)benzoic acid;hydrochloride.
What is the SMILES notation for 2-(fluoromethoxy)benzoic acid;hydrochloride?
The canonical SMILES for 2-(fluoromethoxy)benzoic acid;hydrochloride is Cl.O=C(O)c1ccccc1OCF.
What is the InChIKey of 2-(fluoromethoxy)benzoic acid;hydrochloride?
The InChIKey is NLBUWDMPUROCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3.ClH/c9-5-12-7-4-2-1-3-6(7)8(10)11;/h1-4H,5H2,(H,10,11);1H.
What are the key properties of 2-(fluoromethoxy)benzoic acid;hydrochloride?
2-(fluoromethoxy)benzoic acid;hydrochloride has a molecular weight of 206.60 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)benzoic acid;hydrochloride is sourced from PubChem (CID 141112682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).