[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid

C9H17F2O4P — CID 22884811

IUPAC[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid
SMILESCC(C)C[C@@H](C)C(F)(F)C(=O)CP(=O)(O)O
InChIInChI=1S/C9H17F2O4P/c1-6(2)4-7(3)9(10,11)8(12)5-16(13,14)15/h6-7H,4-5H2,1-3H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyDJGBAHBXYLTXRU-SSDOTTSWSA-N
MW258.20 g/mol
LogP2.05
Rot. Bonds6

About [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid

[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid (PubChem CID 22884811) has the molecular formula C9H17F2O4P and a molecular weight of 258.20 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid
PubChem CID22884811
Molecular FormulaC9H17F2O4P
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid
SMILESCC(C)C[C@@H](C)C(F)(F)C(=O)CP(=O)(O)O
InChIInChI=1S/C9H17F2O4P/c1-6(2)4-7(3)9(10,11)8(12)5-16(13,14)15/h6-7H,4-5H2,1-3H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyDJGBAHBXYLTXRU-SSDOTTSWSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
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 [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid?
The IUPAC name of [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid (CID 22884811) is [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid.
What is the SMILES notation for [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid?
The canonical SMILES for [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid is CC(C)C[C@@H](C)C(F)(F)C(=O)CP(=O)(O)O.
What is the InChIKey of [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid?
The InChIKey is DJGBAHBXYLTXRU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F2O4P/c1-6(2)4-7(3)9(10,11)8(12)5-16(13,14)15/h6-7H,4-5H2,1-3H3,(H2,13,14,15)/t7-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid?
[(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid has a molecular weight of 258.20 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-difluoro-4,6-dimethyl-2-oxoheptyl]phosphonic acid is sourced from PubChem (CID 22884811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).