1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane

C7H16FO2P — CID 567292

IUPAC1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane
SMILESCC(C)C(C)COP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-6(2)7(3)5-10-11(4,8)9/h6-7H,5H2,1-4H3
InChIKeyDFPMVBQXESIVQW-UHFFFAOYSA-N
MW182.17 g/mol
LogP3.09
Rot. Bonds4

About 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane

1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane (PubChem CID 567292) has the molecular formula C7H16FO2P and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane.

Molecular Properties

Compound Name1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane
PubChem CID567292
Molecular FormulaC7H16FO2P
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane
SMILESCC(C)C(C)COP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-6(2)7(3)5-10-11(4,8)9/h6-7H,5H2,1-4H3
InChIKeyDFPMVBQXESIVQW-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane?
The IUPAC name of 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane (CID 567292) is 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane.
What is the SMILES notation for 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane?
The canonical SMILES for 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane is CC(C)C(C)COP(C)(=O)F.
What is the InChIKey of 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane?
The InChIKey is DFPMVBQXESIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P/c1-6(2)7(3)5-10-11(4,8)9/h6-7H,5H2,1-4H3.
What are the key properties of 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane?
1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane has a molecular weight of 182.17 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methyl)phosphoryl]oxy-2,3-dimethylbutane is sourced from PubChem (CID 567292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).