N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine

C22H30F6N2Si2 — CID 22251734

IUPACN,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
SMILESC[Si](C)(C)N(CCN(c1ccccc1C(F)(F)F)[Si](C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H30F6N2Si2/c1-31(2,3)29(19-13-9-7-11-17(19)21(23,24)25)15-16-30(32(4,5)6)20-14-10-8-12-18(20)22(26,27)28/h7-14H,15-16H2,1-6H3
InChIKeyTWIUWFCREYGFQW-UHFFFAOYSA-N
MW492.66 g/mol
LogP7.71
Rot. Bonds7

About N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine

N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine (PubChem CID 22251734) has the molecular formula C22H30F6N2Si2 and a molecular weight of 492.66 g/mol. Its IUPAC name is N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
PubChem CID22251734
Molecular FormulaC22H30F6N2Si2
Molecular Weight492.66 g/mol
Exact Mass492.19
IUPAC NameN,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
SMILESC[Si](C)(C)N(CCN(c1ccccc1C(F)(F)F)[Si](C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H30F6N2Si2/c1-31(2,3)29(19-13-9-7-11-17(19)21(23,24)25)15-16-30(32(4,5)6)20-14-10-8-12-18(20)22(26,27)28/h7-14H,15-16H2,1-6H3
InChIKeyTWIUWFCREYGFQW-UHFFFAOYSA-N
XLogP7.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine (CID 22251734) is N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine is C[Si](C)(C)N(CCN(c1ccccc1C(F)(F)F)[Si](C)(C)C)c1ccccc1C(F)(F)F.
What is the InChIKey of N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine?
The InChIKey is TWIUWFCREYGFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F6N2Si2/c1-31(2,3)29(19-13-9-7-11-17(19)21(23,24)25)15-16-30(32(4,5)6)20-14-10-8-12-18(20)22(26,27)28/h7-14H,15-16H2,1-6H3.
What are the key properties of N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine?
N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine has a molecular weight of 492.66 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine is sourced from PubChem (CID 22251734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).