2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium

C4H6F2O4P+ — CID 130463713

IUPAC2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium
SMILESCOC(=O)[P+](=O)OCC(F)F
InChIInChI=1S/C4H6F2O4P/c1-9-4(7)11(8)10-2-3(5)6/h3H,2H2,1H3/q+1
InChIKeyYMQXBPIVUFPZPK-UHFFFAOYSA-N
MW187.06 g/mol
LogP1.78
Rot. Bonds4

About 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium

2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium (PubChem CID 130463713) has the molecular formula C4H6F2O4P+ and a molecular weight of 187.06 g/mol. Its IUPAC name is 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium.

Molecular Properties

Compound Name2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium
PubChem CID130463713
Molecular FormulaC4H6F2O4P+
Molecular Weight187.06 g/mol
Exact Mass187.00
IUPAC Name2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium
SMILESCOC(=O)[P+](=O)OCC(F)F
InChIInChI=1S/C4H6F2O4P/c1-9-4(7)11(8)10-2-3(5)6/h3H,2H2,1H3/q+1
InChIKeyYMQXBPIVUFPZPK-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.06
LogP ≤ 51.78
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

methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium
CID 130463731
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
ethenoxy-methoxycarbonyl-oxophosphanium
CID 130463703
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
CID 131206655
2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
CID 103229391
methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 154169422
2-fluorobutyl 2-methoxypropanoate
CID 88537574
methyl 3-amino-2-(2,2-difluoroethoxyimino)-3-oxopropanoate
CID 54242771
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
CID 103082376
CID 158506606
CID 158506606

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium?
The IUPAC name of 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium (CID 130463713) is 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium.
What is the SMILES notation for 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium?
The canonical SMILES for 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium is COC(=O)[P+](=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium?
The InChIKey is YMQXBPIVUFPZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O4P/c1-9-4(7)11(8)10-2-3(5)6/h3H,2H2,1H3/q+1.
What are the key properties of 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium?
2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium has a molecular weight of 187.06 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium is sourced from PubChem (CID 130463713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).