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

C10H7Cl2F3O3 — CID 64552928

IUPAC3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3/c11-5-3-6(9(16)17)8(7(12)4-5)18-2-1-10(13,14)15/h3-4H,1-2H2,(H,16,17)
InChIKeyKWGNDBCUXHQMFY-UHFFFAOYSA-N
MW303.06 g/mol
LogP4.02
Rot. Bonds4

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

3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid (PubChem CID 64552928) has the molecular formula C10H7Cl2F3O3 and a molecular weight of 303.06 g/mol. Its IUPAC name is 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
PubChem CID64552928
Molecular FormulaC10H7Cl2F3O3
Molecular Weight303.06 g/mol
Exact Mass301.97
IUPAC Name3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3/c11-5-3-6(9(16)17)8(7(12)4-5)18-2-1-10(13,14)15/h3-4H,1-2H2,(H,16,17)
InChIKeyKWGNDBCUXHQMFY-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3,5-dichloro-2-(2,2,2-trifluoroethoxymethoxy)benzoic acid
CID 106704997
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
3,5-dimethyl-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552924
5-(2,4-dichlorophenyl)-2-methyl-1-[4-(3,3,3-trifluoropropoxy)phenyl]pyrrole-3-carboxylic acid
CID 59671879
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925
2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene
CID 159116352
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid (CID 64552928) is 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1OCCC(F)(F)F.
What is the InChIKey of 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid?
The InChIKey is KWGNDBCUXHQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O3/c11-5-3-6(9(16)17)8(7(12)4-5)18-2-1-10(13,14)15/h3-4H,1-2H2,(H,16,17).
What are the key properties of 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid?
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid has a molecular weight of 303.06 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid is sourced from PubChem (CID 64552928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).