2,4-dichloro-5-(difluoromethoxy)benzoic acid

C8H4Cl2F2O3 — CID 119020292

IUPAC2,4-dichloro-5-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(OC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H4Cl2F2O3/c9-4-2-5(10)6(15-8(11)12)1-3(4)7(13)14/h1-2,8H,(H,13,14)
InChIKeyKLYLDHQPBRBOAQ-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.29
Rot. Bonds3

About 2,4-dichloro-5-(difluoromethoxy)benzoic acid

2,4-dichloro-5-(difluoromethoxy)benzoic acid (PubChem CID 119020292) has the molecular formula C8H4Cl2F2O3 and a molecular weight of 257.02 g/mol. Its IUPAC name is 2,4-dichloro-5-(difluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(difluoromethoxy)benzoic acid
PubChem CID119020292
Molecular FormulaC8H4Cl2F2O3
Molecular Weight257.02 g/mol
Exact Mass255.95
IUPAC Name2,4-dichloro-5-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(OC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H4Cl2F2O3/c9-4-2-5(10)6(15-8(11)12)1-3(4)7(13)14/h1-2,8H,(H,13,14)
InChIKeyKLYLDHQPBRBOAQ-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-3-(difluoromethoxy)benzoic acid
CID 119002973
1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
4,5-diamino-2-(difluoromethoxy)benzoic acid
CID 67232291
(E)-3-[2,4-dichloro-5-(difluoromethoxy)phenyl]prop-2-enoic acid
CID 119002235
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoic acid
CID 171021997
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
2-chloro-3-(difluoromethoxy)-5-nitrobenzoic acid
CID 171005265
ethyl 4-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171005080

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(difluoromethoxy)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(difluoromethoxy)benzoic acid (CID 119020292) is 2,4-dichloro-5-(difluoromethoxy)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(difluoromethoxy)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(difluoromethoxy)benzoic acid is O=C(O)c1cc(OC(F)F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(difluoromethoxy)benzoic acid?
The InChIKey is KLYLDHQPBRBOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O3/c9-4-2-5(10)6(15-8(11)12)1-3(4)7(13)14/h1-2,8H,(H,13,14).
What are the key properties of 2,4-dichloro-5-(difluoromethoxy)benzoic acid?
2,4-dichloro-5-(difluoromethoxy)benzoic acid has a molecular weight of 257.02 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(difluoromethoxy)benzoic acid is sourced from PubChem (CID 119020292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).