3,5-dichloro-2-(3-fluoropropoxy)benzoic acid

C10H9Cl2FO3 — CID 81106842

IUPAC3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCCCF
InChIInChI=1S/C10H9Cl2FO3/c11-6-4-7(10(14)15)9(8(12)5-6)16-3-1-2-13/h4-5H,1-3H2,(H,14,15)
InChIKeyZEBHQFKBUZSQLV-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.43
Rot. Bonds5

About 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid

3,5-dichloro-2-(3-fluoropropoxy)benzoic acid (PubChem CID 81106842) has the molecular formula C10H9Cl2FO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
PubChem CID81106842
Molecular FormulaC10H9Cl2FO3
Molecular Weight267.08 g/mol
Exact Mass265.99
IUPAC Name3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCCCF
InChIInChI=1S/C10H9Cl2FO3/c11-6-4-7(10(14)15)9(8(12)5-6)16-3-1-2-13/h4-5H,1-3H2,(H,14,15)
InChIKeyZEBHQFKBUZSQLV-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
3,5-dichloro-2-(2,2,2-trifluoroethoxymethoxy)benzoic acid
CID 106704997
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
5-amino-3-chloro-2-(3-hydroxypropoxy)benzoic acid
CID 107197581
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 43516140
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid (CID 81106842) is 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1OCCCF.
What is the InChIKey of 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid?
The InChIKey is ZEBHQFKBUZSQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO3/c11-6-4-7(10(14)15)9(8(12)5-6)16-3-1-2-13/h4-5H,1-3H2,(H,14,15).
What are the key properties of 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid?
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid has a molecular weight of 267.08 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(3-fluoropropoxy)benzoic acid is sourced from PubChem (CID 81106842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).