(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine

C15H34F2NO4PSi — CID 10786574

IUPAC(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](C)[C@H](N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34F2NO4PSi/c1-9-20-23(19,21-10-2)15(16,17)12(3)13(18)11-22-24(7,8)14(4,5)6/h12-13H,9-11,18H2,1-8H3/t12-,13-/m1/s1
InChIKeySFDKMOMUVVYDRQ-CHWSQXEVSA-N
MW389.50 g/mol
LogP4.83
Rot. Bonds10

About (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine

(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine (PubChem CID 10786574) has the molecular formula C15H34F2NO4PSi and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
PubChem CID10786574
Molecular FormulaC15H34F2NO4PSi
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](C)[C@H](N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34F2NO4PSi/c1-9-20-23(19,21-10-2)15(16,17)12(3)13(18)11-22-24(7,8)14(4,5)6/h12-13H,9-11,18H2,1-8H3/t12-,13-/m1/s1
InChIKeySFDKMOMUVVYDRQ-CHWSQXEVSA-N
XLogP4.83
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine?
The IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine (CID 10786574) is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine.
What is the SMILES notation for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine?
The canonical SMILES for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine is CCOP(=O)(OCC)C(F)(F)[C@H](C)[C@H](N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine?
The InChIKey is SFDKMOMUVVYDRQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H34F2NO4PSi/c1-9-20-23(19,21-10-2)15(16,17)12(3)13(18)11-22-24(7,8)14(4,5)6/h12-13H,9-11,18H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine?
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine has a molecular weight of 389.50 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine is sourced from PubChem (CID 10786574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).