butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid

C14H31F2O6PSi — CID 87842087

IUPACbutan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
SMILESCCO[Si](CCCC(F)(F)P(=O)(O)OC(C)CC)(OCC)OCC
InChIInChI=1S/C14H31F2O6PSi/c1-6-13(5)22-23(17,18)14(15,16)11-10-12-24(19-7-2,20-8-3)21-9-4/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyMIHYDRPKQKHWEL-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.41
Rot. Bonds14

About butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid

butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid (PubChem CID 87842087) has the molecular formula C14H31F2O6PSi and a molecular weight of 392.45 g/mol. Its IUPAC name is butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
PubChem CID87842087
Molecular FormulaC14H31F2O6PSi
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Namebutan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
SMILESCCO[Si](CCCC(F)(F)P(=O)(O)OC(C)CC)(OCC)OCC
InChIInChI=1S/C14H31F2O6PSi/c1-6-13(5)22-23(17,18)14(15,16)11-10-12-24(19-7-2,20-8-3)21-9-4/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyMIHYDRPKQKHWEL-UHFFFAOYSA-N
XLogP4.41
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
CID 89468719
(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
CID 58807017
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
(4-amino-1-ethoxy-1-phosphorosobutyl)-butan-2-yloxyphosphinic acid
CID 87872089
(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
CID 87841751
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate
CID 54112188
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid?
The IUPAC name of butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid (CID 87842087) is butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid.
What is the SMILES notation for butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid?
The canonical SMILES for butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid is CCO[Si](CCCC(F)(F)P(=O)(O)OC(C)CC)(OCC)OCC.
What is the InChIKey of butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid?
The InChIKey is MIHYDRPKQKHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31F2O6PSi/c1-6-13(5)22-23(17,18)14(15,16)11-10-12-24(19-7-2,20-8-3)21-9-4/h13H,6-12H2,1-5H3,(H,17,18).
What are the key properties of butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid?
butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid has a molecular weight of 392.45 g/mol, XLogP of 4.41, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid is sourced from PubChem (CID 87842087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).