2-(2,6-difluoro-4-nitrophenoxy)acetic acid

C8H5F2NO5 — CID 18794292

IUPAC2-(2,6-difluoro-4-nitrophenoxy)acetic acid
SMILESO=C(O)COc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H5F2NO5/c9-5-1-4(11(14)15)2-6(10)8(5)16-3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyZUSSDFWRSXUPIL-UHFFFAOYSA-N
MW233.13 g/mol
LogP1.34
Rot. Bonds4

About 2-(2,6-difluoro-4-nitrophenoxy)acetic acid

2-(2,6-difluoro-4-nitrophenoxy)acetic acid (PubChem CID 18794292) has the molecular formula C8H5F2NO5 and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-nitrophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-4-nitrophenoxy)acetic acid
PubChem CID18794292
Molecular FormulaC8H5F2NO5
Molecular Weight233.13 g/mol
Exact Mass233.01
IUPAC Name2-(2,6-difluoro-4-nitrophenoxy)acetic acid
SMILESO=C(O)COc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H5F2NO5/c9-5-1-4(11(14)15)2-6(10)8(5)16-3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyZUSSDFWRSXUPIL-UHFFFAOYSA-N
XLogP1.34
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-formyl-6-nitrophenoxy)acetic acid
CID 18452147
2-(2,6-dimethyl-4-nitrophenoxy)acetic acid;ethyl acetate
CID 158548849
2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid
CID 114048045
2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663
1-(3-fluoro-2-methoxy-5-nitrophenyl)-2-(methylamino)ethanone
CID 117357062
2-[2-(ethylamino)-2-oxoethoxy]-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82914092
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2-[[5,11,17,29-tetratert-butyl-39,41-bis(carboxymethoxy)-38,40,42-trimethoxy-23,35-dinitro-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl]oxy]acetic acid
CID 101449467
2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
CID 107260614

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-nitrophenoxy)acetic acid?
The IUPAC name of 2-(2,6-difluoro-4-nitrophenoxy)acetic acid (CID 18794292) is 2-(2,6-difluoro-4-nitrophenoxy)acetic acid.
What is the SMILES notation for 2-(2,6-difluoro-4-nitrophenoxy)acetic acid?
The canonical SMILES for 2-(2,6-difluoro-4-nitrophenoxy)acetic acid is O=C(O)COc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,6-difluoro-4-nitrophenoxy)acetic acid?
The InChIKey is ZUSSDFWRSXUPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO5/c9-5-1-4(11(14)15)2-6(10)8(5)16-3-7(12)13/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(2,6-difluoro-4-nitrophenoxy)acetic acid?
2-(2,6-difluoro-4-nitrophenoxy)acetic acid has a molecular weight of 233.13 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-nitrophenoxy)acetic acid is sourced from PubChem (CID 18794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).