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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Related Compounds

3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 154984089
calcium;3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;dihypochlorite;hydrate;hydrofluoride
CID 159721855
4-(4-aminophenyl)aniline;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 174920168
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323
3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;[4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite
CID 87987036
CID 175885039
CID 175885039
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
CID 170850671
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
CID 52947808
3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid;N-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]-N-methylpropan-1-amine;bis(3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane);methane;tris(N-methylpropan-1-amine);fluoride;hydroxide;dihydrate;hydrofluoride
CID 159669368
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264

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).