2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane

C8H8FINO4P — CID 144877429

IUPAC2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane
SMILESO=[N+]([O-])c1ccc(F)c(OCCOPI)c1
InChIInChI=1S/C8H8FINO4P/c9-7-2-1-6(11(12)13)5-8(7)14-3-4-15-16-10/h1-2,5,16H,3-4H2
InChIKeyMPSKLIREOIPTFT-UHFFFAOYSA-N
MW359.03 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane

2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane (PubChem CID 144877429) has the molecular formula C8H8FINO4P and a molecular weight of 359.03 g/mol. Its IUPAC name is 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane.

Molecular Properties

Compound Name2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane
PubChem CID144877429
Molecular FormulaC8H8FINO4P
Molecular Weight359.03 g/mol
Exact Mass358.92
IUPAC Name2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane
SMILESO=[N+]([O-])c1ccc(F)c(OCCOPI)c1
InChIInChI=1S/C8H8FINO4P/c9-7-2-1-6(11(12)13)5-8(7)14-3-4-15-16-10/h1-2,5,16H,3-4H2
InChIKeyMPSKLIREOIPTFT-UHFFFAOYSA-N
XLogP3.07
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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

2-(2-fluoro-5-nitrophenoxy)ethyl carbamate
CID 175384908
2-but-3-ynoxy-1-fluoro-4-nitrobenzene
CID 171423322
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
CID 90126367
CID 90126367
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-(2-fluoroethoxy)-4-nitrobenzonitrile
CID 118262727

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane?
The IUPAC name of 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane (CID 144877429) is 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane.
What is the SMILES notation for 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane?
The canonical SMILES for 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane is O=[N+]([O-])c1ccc(F)c(OCCOPI)c1.
What is the InChIKey of 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane?
The InChIKey is MPSKLIREOIPTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FINO4P/c9-7-2-1-6(11(12)13)5-8(7)14-3-4-15-16-10/h1-2,5,16H,3-4H2.
What are the key properties of 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane?
2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane has a molecular weight of 359.03 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-nitrophenoxy)ethoxy-iodophosphane is sourced from PubChem (CID 144877429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).