2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine

C20H48F2N4P2Si2 — CID 15264595

IUPAC2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine
SMILESCN1P(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N(C)P1N(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H48F2N4P2Si2/c1-17(2,3)29(21,18(4,5)6)25(15)27-23(13)28(24(27)14)26(16)30(22,19(7,8)9)20(10,11)12/h1-16H3
InChIKeyVYJAHKJWJFPTFJ-UHFFFAOYSA-N
MW500.75 g/mol
LogP8.20
Rot. Bonds4

About 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine

2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine (PubChem CID 15264595) has the molecular formula C20H48F2N4P2Si2 and a molecular weight of 500.75 g/mol. Its IUPAC name is 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine
PubChem CID15264595
Molecular FormulaC20H48F2N4P2Si2
Molecular Weight500.75 g/mol
Exact Mass500.29
IUPAC Name2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine
SMILESCN1P(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N(C)P1N(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H48F2N4P2Si2/c1-17(2,3)29(21,18(4,5)6)25(15)27-23(13)28(24(27)14)26(16)30(22,19(7,8)9)20(10,11)12/h1-16H3
InChIKeyVYJAHKJWJFPTFJ-UHFFFAOYSA-N
XLogP8.20
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine (CID 15264595) is 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine is CN1P(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N(C)P1N(C)[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine?
The InChIKey is VYJAHKJWJFPTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48F2N4P2Si2/c1-17(2,3)29(21,18(4,5)6)25(15)27-23(13)28(24(27)14)26(16)30(22,19(7,8)9)20(10,11)12/h1-16H3.
What are the key properties of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine?
2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine has a molecular weight of 500.75 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine is sourced from PubChem (CID 15264595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).