2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid

C14H9F3O3 — CID 114930307

IUPAC2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1c(F)cccc1F
InChIInChI=1S/C14H9F3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyHPLCACFXZLOHQT-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.38
Rot. Bonds4

About 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid

2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid (PubChem CID 114930307) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
PubChem CID114930307
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1c(F)cccc1F
InChIInChI=1S/C14H9F3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyHPLCACFXZLOHQT-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-butoxy-3-fluorobenzoic acid
CID 62648647
3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 112612232
3-fluoro-2-(4-methoxybutoxy)benzoic acid
CID 104647732
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
3-fluoro-2-(3-methoxy-3-oxopropoxy)benzoic acid
CID 112612253
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid (CID 114930307) is 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1OCc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid?
The InChIKey is HPLCACFXZLOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid?
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid has a molecular weight of 282.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid is sourced from PubChem (CID 114930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).