5-bromo-2-(2,2-difluoroethoxy)benzoic acid

C9H7BrF2O3 — CID 60922935

IUPAC5-bromo-2-(2,2-difluoroethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCC(F)F
InChIInChI=1S/C9H7BrF2O3/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyYALHYJFBJIGCHH-UHFFFAOYSA-N
MW281.05 g/mol
LogP2.79
Rot. Bonds4

About 5-bromo-2-(2,2-difluoroethoxy)benzoic acid

5-bromo-2-(2,2-difluoroethoxy)benzoic acid (PubChem CID 60922935) has the molecular formula C9H7BrF2O3 and a molecular weight of 281.05 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoroethoxy)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoroethoxy)benzoic acid
PubChem CID60922935
Molecular FormulaC9H7BrF2O3
Molecular Weight281.05 g/mol
Exact Mass279.95
IUPAC Name5-bromo-2-(2,2-difluoroethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCC(F)F
InChIInChI=1S/C9H7BrF2O3/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyYALHYJFBJIGCHH-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2,2-difluoroethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[5-bromo-2-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54854198
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-[2-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54854563
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
5-bromo-2-(2-methylprop-2-enoxy)benzoic acid
CID 103604045
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-2-nonoxybenzoic acid
CID 43129492
5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
CID 107729528
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
4-bromo-1-(2,2-difluoroethoxy)-2-ethynylbenzene
CID 162788176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)benzoic acid?
The IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)benzoic acid (CID 60922935) is 5-bromo-2-(2,2-difluoroethoxy)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2,2-difluoroethoxy)benzoic acid?
The canonical SMILES for 5-bromo-2-(2,2-difluoroethoxy)benzoic acid is O=C(O)c1cc(Br)ccc1OCC(F)F.
What is the InChIKey of 5-bromo-2-(2,2-difluoroethoxy)benzoic acid?
The InChIKey is YALHYJFBJIGCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O3/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H,13,14).
What are the key properties of 5-bromo-2-(2,2-difluoroethoxy)benzoic acid?
5-bromo-2-(2,2-difluoroethoxy)benzoic acid has a molecular weight of 281.05 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoroethoxy)benzoic acid is sourced from PubChem (CID 60922935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).