2-bromo-4-(2-fluoroethoxy)benzoic acid

C9H8BrFO3 — CID 87321445

IUPAC2-bromo-4-(2-fluoroethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCF)cc1Br
InChIInChI=1S/C9H8BrFO3/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeySBSMPISHTGKBDW-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.50
Rot. Bonds4

About 2-bromo-4-(2-fluoroethoxy)benzoic acid

2-bromo-4-(2-fluoroethoxy)benzoic acid (PubChem CID 87321445) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 2-bromo-4-(2-fluoroethoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(2-fluoroethoxy)benzoic acid
PubChem CID87321445
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name2-bromo-4-(2-fluoroethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCF)cc1Br
InChIInChI=1S/C9H8BrFO3/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeySBSMPISHTGKBDW-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
CID 134093258
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
CID 107282562
1-[2-bromo-4-(fluoromethoxy)phenyl]-3-chloropropan-1-one
CID 118835774
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-fluoroethoxy)benzoic acid?
The IUPAC name of 2-bromo-4-(2-fluoroethoxy)benzoic acid (CID 87321445) is 2-bromo-4-(2-fluoroethoxy)benzoic acid.
What is the SMILES notation for 2-bromo-4-(2-fluoroethoxy)benzoic acid?
The canonical SMILES for 2-bromo-4-(2-fluoroethoxy)benzoic acid is O=C(O)c1ccc(OCCF)cc1Br.
What is the InChIKey of 2-bromo-4-(2-fluoroethoxy)benzoic acid?
The InChIKey is SBSMPISHTGKBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 2-bromo-4-(2-fluoroethoxy)benzoic acid?
2-bromo-4-(2-fluoroethoxy)benzoic acid has a molecular weight of 263.06 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-fluoroethoxy)benzoic acid is sourced from PubChem (CID 87321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).