3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine

C8H18F3NOSi — CID 123764176

IUPAC3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine
SMILESCC(CCC(F)(F)F)OC(N)CC[SiH3]
InChIInChI=1S/C8H18F3NOSi/c1-6(2-4-8(9,10)11)13-7(12)3-5-14/h6-7H,2-5,12H2,1,14H3
InChIKeyLRHVCNLCLMMPDY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.19
Rot. Bonds6

About 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine

3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine (PubChem CID 123764176) has the molecular formula C8H18F3NOSi and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine
PubChem CID123764176
Molecular FormulaC8H18F3NOSi
Molecular Weight229.32 g/mol
Exact Mass229.11
IUPAC Name3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine
SMILESCC(CCC(F)(F)F)OC(N)CC[SiH3]
InChIInChI=1S/C8H18F3NOSi/c1-6(2-4-8(9,10)11)13-7(12)3-5-14/h6-7H,2-5,12H2,1,14H3
InChIKeyLRHVCNLCLMMPDY-UHFFFAOYSA-N
XLogP1.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
1,1,1-trifluoro-4-(2-methylpropoxy)pentane
CID 170367964
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
dipropan-2-yl 2-(3,3,3-trifluoropropyl)propanedioate
CID 113360241
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346

Frequently Asked Questions

What is the IUPAC name of 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine?
The IUPAC name of 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine (CID 123764176) is 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine.
What is the SMILES notation for 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine?
The canonical SMILES for 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine is CC(CCC(F)(F)F)OC(N)CC[SiH3].
What is the InChIKey of 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine?
The InChIKey is LRHVCNLCLMMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3NOSi/c1-6(2-4-8(9,10)11)13-7(12)3-5-14/h6-7H,2-5,12H2,1,14H3.
What are the key properties of 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine?
3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silyl-1-(5,5,5-trifluoropentan-2-yloxy)propan-1-amine is sourced from PubChem (CID 123764176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).