fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane

C8H19F2O4P2+ — CID 87088573

IUPACfluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESCC(OP(C)(=O)F)C(C)(C)C.CO[P+](=O)F
InChIInChI=1S/C7H16FO2P.CH3FO2P/c1-6(7(2,3)4)10-11(5,8)9;1-4-5(2)3/h6H,1-5H3;1H3/q;+1
InChIKeyCNLVLRWYJFQHHL-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.49
Rot. Bonds3

About fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane

fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane (PubChem CID 87088573) has the molecular formula C8H19F2O4P2+ and a molecular weight of 279.18 g/mol. Its IUPAC name is fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane.

Molecular Properties

Compound Namefluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
PubChem CID87088573
Molecular FormulaC8H19F2O4P2+
Molecular Weight279.18 g/mol
Exact Mass279.07
IUPAC Namefluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESCC(OP(C)(=O)F)C(C)(C)C.CO[P+](=O)F
InChIInChI=1S/C7H16FO2P.CH3FO2P/c1-6(7(2,3)4)10-11(5,8)9;1-4-5(2)3/h6H,1-5H3;1H3/q;+1
InChIKeyCNLVLRWYJFQHHL-UHFFFAOYSA-N
XLogP4.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The IUPAC name of fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane (CID 87088573) is fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane.
What is the SMILES notation for fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The canonical SMILES for fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane is CC(OP(C)(=O)F)C(C)(C)C.CO[P+](=O)F.
What is the InChIKey of fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The InChIKey is CNLVLRWYJFQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P.CH3FO2P/c1-6(7(2,3)4)10-11(5,8)9;1-4-5(2)3/h6H,1-5H3;1H3/q;+1.
What are the key properties of fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane has a molecular weight of 279.18 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane is sourced from PubChem (CID 87088573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).