(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one

C9H18FO4P — CID 54140765

IUPAC(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one
SMILESCCCC[C@@H](F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C9H18FO4P/c1-4-5-6-8(10)9(11)7-15(12,13-2)14-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOAYAQFMNDZGODW-MRVPVSSYSA-N
MW240.21 g/mol
LogP2.57
Rot. Bonds8

About (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one

(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one (PubChem CID 54140765) has the molecular formula C9H18FO4P and a molecular weight of 240.21 g/mol. Its IUPAC name is (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one.

Molecular Properties

Compound Name(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one
PubChem CID54140765
Molecular FormulaC9H18FO4P
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one
SMILESCCCC[C@@H](F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C9H18FO4P/c1-4-5-6-8(10)9(11)7-15(12,13-2)14-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOAYAQFMNDZGODW-MRVPVSSYSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.57
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 (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one?
The IUPAC name of (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one (CID 54140765) is (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one.
What is the SMILES notation for (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one?
The canonical SMILES for (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one is CCCC[C@@H](F)C(=O)CP(=O)(OC)OC.
What is the InChIKey of (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one?
The InChIKey is OAYAQFMNDZGODW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18FO4P/c1-4-5-6-8(10)9(11)7-15(12,13-2)14-3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one?
(3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one has a molecular weight of 240.21 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-dimethoxyphosphoryl-3-fluoroheptan-2-one is sourced from PubChem (CID 54140765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).