[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium

C9H6F4O4P+ — CID 130463796

IUPAC[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium
SMILESCOC(=O)[P+](=O)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O4P/c1-16-8(14)18(15)17-5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3/q+1
InChIKeyAKADXXHULXVMKJ-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.73
Rot. Bonds3

About [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium

[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium (PubChem CID 130463796) has the molecular formula C9H6F4O4P+ and a molecular weight of 285.11 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium
PubChem CID130463796
Molecular FormulaC9H6F4O4P+
Molecular Weight285.11 g/mol
Exact Mass284.99
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium
SMILESCOC(=O)[P+](=O)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O4P/c1-16-8(14)18(15)17-5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3/q+1
InChIKeyAKADXXHULXVMKJ-UHFFFAOYSA-N
XLogP3.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314
[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
CID 118589716
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
CID 102746826
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
bis[4-fluoro-3-(trifluoromethyl)phenyl] heptanedioate
CID 118593253
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
CID 118593360
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
methyl (3R)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79020632
[4-fluoro-3-(trifluoromethyl)phenyl] prop-1-ene-2-sulfonate
CID 118593226

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium (CID 130463796) is [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium is COC(=O)[P+](=O)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium?
The InChIKey is AKADXXHULXVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O4P/c1-16-8(14)18(15)17-5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3/q+1.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium?
[4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium has a molecular weight of 285.11 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenoxy]-methoxycarbonyl-oxophosphanium is sourced from PubChem (CID 130463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).