1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol

C14H11F2NO4 — CID 109412945

IUPAC1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1ccccc1OCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H11F2NO4/c15-9-5-6-11(16)10(7-9)13(18)8-21-14-4-2-1-3-12(14)17(19)20/h1-7,13,18H,8H2
InChIKeyODRHVIYXKDJMNN-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.99
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol

1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol (PubChem CID 109412945) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
PubChem CID109412945
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1ccccc1OCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H11F2NO4/c15-9-5-6-11(16)10(7-9)13(18)8-21-14-4-2-1-3-12(14)17(19)20/h1-7,13,18H,8H2
InChIKeyODRHVIYXKDJMNN-UHFFFAOYSA-N
XLogP2.99
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.99
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

1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885131
1-(2,5-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415751
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
1-(4-bromophenyl)-2-(2-nitrophenoxy)ethanol
CID 110884570
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
CID 75402727
2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol (CID 109412945) is 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol is O=[N+]([O-])c1ccccc1OCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol?
The InChIKey is ODRHVIYXKDJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-9-5-6-11(16)10(7-9)13(18)8-21-14-4-2-1-3-12(14)17(19)20/h1-7,13,18H,8H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol?
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol has a molecular weight of 295.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol is sourced from PubChem (CID 109412945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).