4-chloro-2-(2,2-difluoroethoxy)benzoic acid

C9H7ClF2O3 — CID 61379224

IUPAC4-chloro-2-(2,2-difluoroethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC(F)F
InChIInChI=1S/C9H7ClF2O3/c10-5-1-2-6(9(13)14)7(3-5)15-4-8(11)12/h1-3,8H,4H2,(H,13,14)
InChIKeyTUDXHAGBYUXRAU-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.68
Rot. Bonds4

About 4-chloro-2-(2,2-difluoroethoxy)benzoic acid

4-chloro-2-(2,2-difluoroethoxy)benzoic acid (PubChem CID 61379224) has the molecular formula C9H7ClF2O3 and a molecular weight of 236.60 g/mol. Its IUPAC name is 4-chloro-2-(2,2-difluoroethoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2,2-difluoroethoxy)benzoic acid
PubChem CID61379224
Molecular FormulaC9H7ClF2O3
Molecular Weight236.60 g/mol
Exact Mass236.01
IUPAC Name4-chloro-2-(2,2-difluoroethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC(F)F
InChIInChI=1S/C9H7ClF2O3/c10-5-1-2-6(9(13)14)7(3-5)15-4-8(11)12/h1-3,8H,4H2,(H,13,14)
InChIKeyTUDXHAGBYUXRAU-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,3-dihydroxypropoxy)benzoic acid
CID 82842018
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
CID 60676432
5-bromo-2-(2,2-difluoroethoxy)benzoic acid
CID 60922935
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-chloro-2-(2-methylidenebutoxy)benzoic acid
CID 66046369
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzoic acid
CID 79679785
4-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 60676619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-difluoroethoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(2,2-difluoroethoxy)benzoic acid (CID 61379224) is 4-chloro-2-(2,2-difluoroethoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2,2-difluoroethoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(2,2-difluoroethoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1OCC(F)F.
What is the InChIKey of 4-chloro-2-(2,2-difluoroethoxy)benzoic acid?
The InChIKey is TUDXHAGBYUXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O3/c10-5-1-2-6(9(13)14)7(3-5)15-4-8(11)12/h1-3,8H,4H2,(H,13,14).
What are the key properties of 4-chloro-2-(2,2-difluoroethoxy)benzoic acid?
4-chloro-2-(2,2-difluoroethoxy)benzoic acid has a molecular weight of 236.60 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-difluoroethoxy)benzoic acid is sourced from PubChem (CID 61379224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).