[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid

C6H13F2NO6P2 — CID 14966715

IUPAC[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(N1CCC(F)(F)CC1)P(=O)(O)O
InChIInChI=1S/C6H13F2NO6P2/c7-6(8)1-3-9(4-2-6)5(16(10,11)12)17(13,14)15/h5H,1-4H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyVCWCGXXFHLQCRN-UHFFFAOYSA-N
MW295.12 g/mol
LogP0.36
Rot. Bonds3

About [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid

[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid (PubChem CID 14966715) has the molecular formula C6H13F2NO6P2 and a molecular weight of 295.12 g/mol. Its IUPAC name is [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid
PubChem CID14966715
Molecular FormulaC6H13F2NO6P2
Molecular Weight295.12 g/mol
Exact Mass295.02
IUPAC Name[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(N1CCC(F)(F)CC1)P(=O)(O)O
InChIInChI=1S/C6H13F2NO6P2/c7-6(8)1-3-9(4-2-6)5(16(10,11)12)17(13,14)15/h5H,1-4H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyVCWCGXXFHLQCRN-UHFFFAOYSA-N
XLogP0.36
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid (CID 14966715) is [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(N1CCC(F)(F)CC1)P(=O)(O)O.
What is the InChIKey of [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The InChIKey is VCWCGXXFHLQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO6P2/c7-6(8)1-3-9(4-2-6)5(16(10,11)12)17(13,14)15/h5H,1-4H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid?
[(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid has a molecular weight of 295.12 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,4-difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 14966715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).