2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate

C6H14FNO8P2-2 — CID 155648991

IUPAC2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate
SMILESCC(CNF)COP(=O)([O-])OCCOP(=O)([O-])O
InChIInChI=1S/C6H16FNO8P2/c1-6(4-8-7)5-16-18(12,13)15-3-2-14-17(9,10)11/h6,8H,2-5H2,1H3,(H,12,13)(H2,9,10,11)/p-2
InChIKeyTYMQTLDEGORFOI-UHFFFAOYSA-L
MW309.12 g/mol
LogP-0.92
Rot. Bonds10

About 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate

2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate (PubChem CID 155648991) has the molecular formula C6H14FNO8P2-2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate.

Molecular Properties

Compound Name2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate
PubChem CID155648991
Molecular FormulaC6H14FNO8P2-2
Molecular Weight309.12 g/mol
Exact Mass309.02
IUPAC Name2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate
SMILESCC(CNF)COP(=O)([O-])OCCOP(=O)([O-])O
InChIInChI=1S/C6H16FNO8P2/c1-6(4-8-7)5-16-18(12,13)15-3-2-14-17(9,10)11/h6,8H,2-5H2,1H3,(H,12,13)(H2,9,10,11)/p-2
InChIKeyTYMQTLDEGORFOI-UHFFFAOYSA-L
XLogP-0.92
TPSA140.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate?
The IUPAC name of 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate (CID 155648991) is 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate.
What is the SMILES notation for 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate?
The canonical SMILES for 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate is CC(CNF)COP(=O)([O-])OCCOP(=O)([O-])O.
What is the InChIKey of 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate?
The InChIKey is TYMQTLDEGORFOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16FNO8P2/c1-6(4-8-7)5-16-18(12,13)15-3-2-14-17(9,10)11/h6,8H,2-5H2,1H3,(H,12,13)(H2,9,10,11)/p-2.
What are the key properties of 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate?
2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate has a molecular weight of 309.12 g/mol, XLogP of -0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate is sourced from PubChem (CID 155648991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).