2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol

C10H13FN2O4 — CID 62498468

IUPAC2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(F)cc(NCCOCCO)c1
InChIInChI=1S/C10H13FN2O4/c11-8-5-9(7-10(6-8)13(15)16)12-1-3-17-4-2-14/h5-7,12,14H,1-4H2
InChIKeyVBZBAFJRTMAIPE-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.15
Rot. Bonds7

About 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol

2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol (PubChem CID 62498468) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol
PubChem CID62498468
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(F)cc(NCCOCCO)c1
InChIInChI=1S/C10H13FN2O4/c11-8-5-9(7-10(6-8)13(15)16)12-1-3-17-4-2-14/h5-7,12,14H,1-4H2
InChIKeyVBZBAFJRTMAIPE-UHFFFAOYSA-N
XLogP1.15
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.15
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-(methylamino)-5-nitroanilino]ethoxy]ethanol
CID 80827179
N-(2-butoxyethyl)-3-fluoro-5-nitroaniline
CID 61176811
2-(3-fluoro-5-nitroanilino)ethyl carbamate
CID 83204045
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]ethanol
CID 62498634
2-(3-fluoro-5-nitroanilino)-N-methylethanesulfonamide
CID 114175329
N-(2-ethoxyethyl)-3-methyl-5-nitroaniline
CID 112648993
3-fluoro-5-nitro-N-pent-3-ynylaniline
CID 116644538
3-fluoro-5-nitro-N-(2-phenylethyl)aniline
CID 60877252
N-(cyclobutylmethyl)-3-fluoro-5-nitroaniline
CID 60876882
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
1,1,1-trifluoro-3-(3-fluoro-5-nitroanilino)propan-2-ol
CID 114093741
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol (CID 62498468) is 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol is O=[N+]([O-])c1cc(F)cc(NCCOCCO)c1.
What is the InChIKey of 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol?
The InChIKey is VBZBAFJRTMAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c11-8-5-9(7-10(6-8)13(15)16)12-1-3-17-4-2-14/h5-7,12,14H,1-4H2.
What are the key properties of 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol?
2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol has a molecular weight of 244.22 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol is sourced from PubChem (CID 62498468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).