N-butan-2-yl-N-trifluorosilylbutan-2-amine

C8H18F3NSi — CID 12581048

IUPACN-butan-2-yl-N-trifluorosilylbutan-2-amine
SMILESCCC(C)N(C(C)CC)[Si](F)(F)F
InChIInChI=1S/C8H18F3NSi/c1-5-7(3)12(8(4)6-2)13(9,10)11/h7-8H,5-6H2,1-4H3
InChIKeyZNVWXYRYZCXHPG-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.23
Rot. Bonds5

About N-butan-2-yl-N-trifluorosilylbutan-2-amine

N-butan-2-yl-N-trifluorosilylbutan-2-amine (PubChem CID 12581048) has the molecular formula C8H18F3NSi and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butan-2-yl-N-trifluorosilylbutan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-trifluorosilylbutan-2-amine
PubChem CID12581048
Molecular FormulaC8H18F3NSi
Molecular Weight213.32 g/mol
Exact Mass213.12
IUPAC NameN-butan-2-yl-N-trifluorosilylbutan-2-amine
SMILESCCC(C)N(C(C)CC)[Si](F)(F)F
InChIInChI=1S/C8H18F3NSi/c1-5-7(3)12(8(4)6-2)13(9,10)11/h7-8H,5-6H2,1-4H3
InChIKeyZNVWXYRYZCXHPG-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-trifluorosilylbutan-2-amine?
The IUPAC name of N-butan-2-yl-N-trifluorosilylbutan-2-amine (CID 12581048) is N-butan-2-yl-N-trifluorosilylbutan-2-amine.
What is the SMILES notation for N-butan-2-yl-N-trifluorosilylbutan-2-amine?
The canonical SMILES for N-butan-2-yl-N-trifluorosilylbutan-2-amine is CCC(C)N(C(C)CC)[Si](F)(F)F.
What is the InChIKey of N-butan-2-yl-N-trifluorosilylbutan-2-amine?
The InChIKey is ZNVWXYRYZCXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3NSi/c1-5-7(3)12(8(4)6-2)13(9,10)11/h7-8H,5-6H2,1-4H3.
What are the key properties of N-butan-2-yl-N-trifluorosilylbutan-2-amine?
N-butan-2-yl-N-trifluorosilylbutan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-trifluorosilylbutan-2-amine is sourced from PubChem (CID 12581048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).