fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine

C14H36F2NO6P3 — CID 174325492

IUPACfluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine
SMILESCCCCCCOP(=O)(O)F.CCCCCCOP(=O)(O)F.CN(C)P
InChIInChI=1S/2C6H14FO3P.C2H8NP/c2*1-2-3-4-5-6-10-11(7,8)9;1-3(2)4/h2*2-6H2,1H3,(H,8,9);4H2,1-2H3
InChIKeyYUQIVVCFLRCBAE-UHFFFAOYSA-N
MW445.36 g/mol
LogP5.64
Rot. Bonds12

About fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine

fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine (PubChem CID 174325492) has the molecular formula C14H36F2NO6P3 and a molecular weight of 445.36 g/mol. Its IUPAC name is fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine.

Molecular Properties

Compound Namefluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine
PubChem CID174325492
Molecular FormulaC14H36F2NO6P3
Molecular Weight445.36 g/mol
Exact Mass445.17
IUPAC Namefluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine
SMILESCCCCCCOP(=O)(O)F.CCCCCCOP(=O)(O)F.CN(C)P
InChIInChI=1S/2C6H14FO3P.C2H8NP/c2*1-2-3-4-5-6-10-11(7,8)9;1-3(2)4/h2*2-6H2,1H3,(H,8,9);4H2,1-2H3
InChIKeyYUQIVVCFLRCBAE-UHFFFAOYSA-N
XLogP5.64
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;dodecyl dihydrogen phosphate
CID 175346485
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009

Frequently Asked Questions

What is the IUPAC name of fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine?
The IUPAC name of fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine (CID 174325492) is fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine.
What is the SMILES notation for fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine?
The canonical SMILES for fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine is CCCCCCOP(=O)(O)F.CCCCCCOP(=O)(O)F.CN(C)P.
What is the InChIKey of fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine?
The InChIKey is YUQIVVCFLRCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14FO3P.C2H8NP/c2*1-2-3-4-5-6-10-11(7,8)9;1-3(2)4/h2*2-6H2,1H3,(H,8,9);4H2,1-2H3.
What are the key properties of fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine?
fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine has a molecular weight of 445.36 g/mol, XLogP of 5.64, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine is sourced from PubChem (CID 174325492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).