(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium

C6H4FNO5P+ — CID 175445646

IUPAC(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium
SMILESO=[N+]([O-])c1cc(F)cc(O[P+](=O)O)c1
InChIInChI=1S/C6H3FNO5P/c7-4-1-5(8(9)10)3-6(2-4)13-14(11)12/h1-3H/p+1
InChIKeyLVDUXXLFKAGETC-UHFFFAOYSA-O
MW220.07 g/mol
LogP1.76
Rot. Bonds3

About (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium

(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium (PubChem CID 175445646) has the molecular formula C6H4FNO5P+ and a molecular weight of 220.07 g/mol. Its IUPAC name is (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium
PubChem CID175445646
Molecular FormulaC6H4FNO5P+
Molecular Weight220.07 g/mol
Exact Mass219.98
IUPAC Name(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium
SMILESO=[N+]([O-])c1cc(F)cc(O[P+](=O)O)c1
InChIInChI=1S/C6H3FNO5P/c7-4-1-5(8(9)10)3-6(2-4)13-14(11)12/h1-3H/p+1
InChIKeyLVDUXXLFKAGETC-UHFFFAOYSA-O
XLogP1.76
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.76
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
1-fluoro-3-(2-methylbutan-2-yloxy)-5-nitrobenzene
CID 80752056
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
CID 80752062
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
5-bromo-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 104629583

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium?
The IUPAC name of (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium (CID 175445646) is (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium is O=[N+]([O-])c1cc(F)cc(O[P+](=O)O)c1.
What is the InChIKey of (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium?
The InChIKey is LVDUXXLFKAGETC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H3FNO5P/c7-4-1-5(8(9)10)3-6(2-4)13-14(11)12/h1-3H/p+1.
What are the key properties of (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium?
(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium has a molecular weight of 220.07 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 175445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).