2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine

C13H13F18NO3Si — CID 166567858

IUPAC2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine
SMILESCC(C)(C)N[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F18NO3Si/c1-7(2,3)32-36(33-4(8(14,15)16)9(17,18)19,34-5(10(20,21)22)11(23,24)25)35-6(12(26,27)28)13(29,30)31/h4-6,32H,1-3H3
InChIKeyATCJSAGBNDGAGY-UHFFFAOYSA-N
MW601.30 g/mol
LogP6.34
Rot. Bonds7

About 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine

2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine (PubChem CID 166567858) has the molecular formula C13H13F18NO3Si and a molecular weight of 601.30 g/mol. Its IUPAC name is 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine
PubChem CID166567858
Molecular FormulaC13H13F18NO3Si
Molecular Weight601.30 g/mol
Exact Mass601.04
IUPAC Name2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine
SMILESCC(C)(C)N[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F18NO3Si/c1-7(2,3)32-36(33-4(8(14,15)16)9(17,18)19,34-5(10(20,21)22)11(23,24)25)35-6(12(26,27)28)13(29,30)31/h4-6,32H,1-3H3
InChIKeyATCJSAGBNDGAGY-UHFFFAOYSA-N
XLogP6.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.30
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
CID 12501807
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293
tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
CID 15704788
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
N-[diethoxy-(propan-2-yloxyamino)silyl]-2-methylpropan-2-amine
CID 152738799
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylbutanenitrile
CID 102722169
(Z)-N-tert-butyl-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxyprop-2-enamide
CID 23628881
1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy(trimethyl)silane
CID 71695730
1,1,1,3,3,3-hexafluoropropan-2-yl N-methylsulfamate
CID 146244224
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
CID 13418963
3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 163434337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine (CID 166567858) is 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine is CC(C)(C)N[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine?
The InChIKey is ATCJSAGBNDGAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F18NO3Si/c1-7(2,3)32-36(33-4(8(14,15)16)9(17,18)19,34-5(10(20,21)22)11(23,24)25)35-6(12(26,27)28)13(29,30)31/h4-6,32H,1-3H3.
What are the key properties of 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine?
2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine has a molecular weight of 601.30 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)silyl]propan-2-amine is sourced from PubChem (CID 166567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).