2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate

C7H18FO6P — CID 175130665

IUPAC2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
SMILESCC(C)(O)C(C)(C)O.COP(=O)(O)OF
InChIInChI=1S/C6H14O2.CH4FO4P/c1-5(2,7)6(3,4)8;1-5-7(3,4)6-2/h7-8H,1-4H3;1H3,(H,3,4)
InChIKeyIZXNFZFNCGGHFW-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.16
Rot. Bonds3

About 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate

2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate (PubChem CID 175130665) has the molecular formula C7H18FO6P and a molecular weight of 248.19 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
PubChem CID175130665
Molecular FormulaC7H18FO6P
Molecular Weight248.19 g/mol
Exact Mass248.08
IUPAC Name2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
SMILESCC(C)(O)C(C)(C)O.COP(=O)(O)OF
InChIInChI=1S/C6H14O2.CH4FO4P/c1-5(2,7)6(3,4)8;1-5-7(3,4)6-2/h7-8H,1-4H3;1H3,(H,3,4)
InChIKeyIZXNFZFNCGGHFW-UHFFFAOYSA-N
XLogP1.16
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

fluoro methyl hydrogen phosphate
CID 87128109
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
dimethyl hydrogen phosphate;methane
CID 88807117
carbanylium;methyl dihydrogen phosphate
CID 165007935
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
methyl 1,1,2,2,2-pentafluoroethyl hydrogen phosphate;phosphoric acid
CID 159511101
CID 59319489
CID 59319489
fluoro(methoxy)phosphinic acid
CID 23235630
difluoro hydrogen phosphate;3-ethylpentan-3-amine
CID 175262518
[fluorooxy(hydroxy)phosphoryl] acetate
CID 54246379
fluoro propan-2-yl hydrogen phosphate
CID 22590861

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate (CID 175130665) is 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate is CC(C)(O)C(C)(C)O.COP(=O)(O)OF.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate?
The InChIKey is IZXNFZFNCGGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.CH4FO4P/c1-5(2,7)6(3,4)8;1-5-7(3,4)6-2/h7-8H,1-4H3;1H3,(H,3,4).
What are the key properties of 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate?
2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate has a molecular weight of 248.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate is sourced from PubChem (CID 175130665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).