4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine

C15H27F6NOSi — CID 86605615

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine
SMILESCC[Si](CC)(CC)OC(C1CCC(N)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H27F6NOSi/c1-4-24(5-2,6-3)23-13(14(16,17)18,15(19,20)21)11-7-9-12(22)10-8-11/h11-12H,4-10,22H2,1-3H3
InChIKeyXGHXVNVPFHFZQR-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.39
Rot. Bonds6

About 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine

4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine (PubChem CID 86605615) has the molecular formula C15H27F6NOSi and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine
PubChem CID86605615
Molecular FormulaC15H27F6NOSi
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine
SMILESCC[Si](CC)(CC)OC(C1CCC(N)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H27F6NOSi/c1-4-24(5-2,6-3)23-13(14(16,17)18,15(19,20)21)11-7-9-12(22)10-8-11/h11-12H,4-10,22H2,1-3H3
InChIKeyXGHXVNVPFHFZQR-UHFFFAOYSA-N
XLogP5.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
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 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine (CID 86605615) is 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine is CC[Si](CC)(CC)OC(C1CCC(N)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is XGHXVNVPFHFZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F6NOSi/c1-4-24(5-2,6-3)23-13(14(16,17)18,15(19,20)21)11-7-9-12(22)10-8-11/h11-12H,4-10,22H2,1-3H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine?
4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 379.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 86605615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).