fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid

C18H38FO5P — CID 11689532

IUPACfluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
SMILESCCCCCCCCCCCCCCOCC(COP(=O)(O)F)OC
InChIInChI=1S/C18H38FO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-16-18(22-2)17-24-25(19,20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKeyFBNVCXFUMGLFRW-UHFFFAOYSA-N
MW384.47 g/mol
LogP5.81
Rot. Bonds19

About fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid

fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid (PubChem CID 11689532) has the molecular formula C18H38FO5P and a molecular weight of 384.47 g/mol. Its IUPAC name is fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
PubChem CID11689532
Molecular FormulaC18H38FO5P
Molecular Weight384.47 g/mol
Exact Mass384.24
IUPAC Namefluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
SMILESCCCCCCCCCCCCCCOCC(COP(=O)(O)F)OC
InChIInChI=1S/C18H38FO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-16-18(22-2)17-24-25(19,20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKeyFBNVCXFUMGLFRW-UHFFFAOYSA-N
XLogP5.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
CID 71719457
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
1-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 54309775
[(3R)-4-hexadecoxy-3-methoxybutyl]phosphonic acid
CID 10364120
3-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 88685870
(1,1-dimethylpiperidin-1-ium-4-yl) (2-methoxy-3-octadecoxypropyl) hydrogen phosphate
CID 58922660
2,3-didecoxypropyl dihydrogen phosphate
CID 87439612
[(2S)-2-methoxy-3-octadecoxypropyl] 2-(propan-2-ylamino)ethyl hydrogen phosphate
CID 98047054
[(2R)-1-dodecoxy-3-octadecoxypropan-2-yl] dihydrogen phosphate
CID 21275871
2-hydroxy-2-[methoxy-[(2S)-2-methoxy-3-octadecoxypropoxy]phosphoryl]acetaldehyde
CID 58681850
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250

Frequently Asked Questions

What is the IUPAC name of fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid?
The IUPAC name of fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid (CID 11689532) is fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid.
What is the SMILES notation for fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid?
The canonical SMILES for fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid is CCCCCCCCCCCCCCOCC(COP(=O)(O)F)OC.
What is the InChIKey of fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid?
The InChIKey is FBNVCXFUMGLFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38FO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-16-18(22-2)17-24-25(19,20)21/h18H,3-17H2,1-2H3,(H,20,21).
What are the key properties of fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid?
fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid has a molecular weight of 384.47 g/mol, XLogP of 5.81, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid is sourced from PubChem (CID 11689532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).