2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid

C10H10F2N2O5 — CID 114048045

IUPAC2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10F2N2O5/c11-7-3-6(14(17)18)4-8(12)10(7)13-1-2-19-5-9(15)16/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyDMSJRQPCFQFTSM-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.39
Rot. Bonds7

About 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid

2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid (PubChem CID 114048045) has the molecular formula C10H10F2N2O5 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid
PubChem CID114048045
Molecular FormulaC10H10F2N2O5
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC Name2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10F2N2O5/c11-7-3-6(14(17)18)4-8(12)10(7)13-1-2-19-5-9(15)16/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyDMSJRQPCFQFTSM-UHFFFAOYSA-N
XLogP1.39
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxy-5-nitroanilino)ethoxy]acetic acid
CID 80736437
2,6-difluoro-N-(4-methoxybutyl)-4-nitroaniline
CID 103828455
2-(2,6-difluoro-4-nitrophenoxy)acetic acid
CID 18794292
2-[2-(4-fluoro-5-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79457753
N-(3,3-dimethylbutyl)-2,6-difluoro-4-nitroaniline
CID 114048007
N-tert-butyl-3-(2,6-difluoro-4-nitroanilino)propanamide
CID 103828577
3-(2-ethoxycarbonyl-6-fluoro-4-nitroanilino)propanoic acid
CID 122048218
2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide
CID 103828460
[4-[2-(2,6-difluoro-4-nitroanilino)ethyl]phenyl]methanol
CID 133434958
2-[2-[4-nitro-3-(trifluoromethyl)anilino]ethoxy]acetic acid
CID 79468494
2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide
CID 106241889
1-(2,6-difluoro-4-nitroanilino)cyclopropane-1-carboxylic acid
CID 114048043

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid (CID 114048045) is 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid is O=C(O)COCCNc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid?
The InChIKey is DMSJRQPCFQFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5/c11-7-3-6(14(17)18)4-8(12)10(7)13-1-2-19-5-9(15)16/h3-4,13H,1-2,5H2,(H,15,16).
What are the key properties of 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid?
2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid has a molecular weight of 276.19 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoro-4-nitroanilino)ethoxy]acetic acid is sourced from PubChem (CID 114048045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).