[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol

C13H8F3NO4 — CID 63598315

IUPAC[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(F)c(Oc2ccc(F)cc2CO)cc1F
InChIInChI=1S/C13H8F3NO4/c14-8-1-2-12(7(3-8)6-18)21-13-5-9(15)11(17(19)20)4-10(13)16/h1-5,18H,6H2
InChIKeyLSOCJGRUWLVSFG-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.30
Rot. Bonds4

About [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol

[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol (PubChem CID 63598315) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
PubChem CID63598315
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(F)c(Oc2ccc(F)cc2CO)cc1F
InChIInChI=1S/C13H8F3NO4/c14-8-1-2-12(7(3-8)6-18)21-13-5-9(15)11(17(19)20)4-10(13)16/h1-5,18H,6H2
InChIKeyLSOCJGRUWLVSFG-UHFFFAOYSA-N
XLogP3.30
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.30
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

[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
[5-chloro-2-(2,5-difluoro-4-nitrophenoxy)phenyl]methanamine
CID 114857292
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
CID 103483384
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
(4-fluoro-2-nitro-5-phenoxyphenyl)methanol
CID 59778138
1-[5-bromo-2-(bromomethyl)phenoxy]-2,5-difluoro-4-nitrobenzene
CID 107088500
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol (CID 63598315) is [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol is O=[N+]([O-])c1cc(F)c(Oc2ccc(F)cc2CO)cc1F.
What is the InChIKey of [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The InChIKey is LSOCJGRUWLVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-8-1-2-12(7(3-8)6-18)21-13-5-9(15)11(17(19)20)4-10(13)16/h1-5,18H,6H2.
What are the key properties of [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol?
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol has a molecular weight of 299.20 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 63598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).