(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine

C14H30F3NO2Si — CID 163279087

IUPAC(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
SMILESCC(C)(C)[Si](C)(C)OCCOCC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C14H30F3NO2Si/c1-13(2,3)21(4,5)20-11-10-19-9-7-12(18)6-8-14(15,16)17/h12H,6-11,18H2,1-5H3/t12-/m0/s1
InChIKeyXDEWHISVMIDAIA-LBPRGKRZSA-N
MW329.48 g/mol
LogP4.08
Rot. Bonds9

About (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine

(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine (PubChem CID 163279087) has the molecular formula C14H30F3NO2Si and a molecular weight of 329.48 g/mol. Its IUPAC name is (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
PubChem CID163279087
Molecular FormulaC14H30F3NO2Si
Molecular Weight329.48 g/mol
Exact Mass329.20
IUPAC Name(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
SMILESCC(C)(C)[Si](C)(C)OCCOCC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C14H30F3NO2Si/c1-13(2,3)21(4,5)20-11-10-19-9-7-12(18)6-8-14(15,16)17/h12H,6-11,18H2,1-5H3/t12-/m0/s1
InChIKeyXDEWHISVMIDAIA-LBPRGKRZSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine?
The IUPAC name of (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine (CID 163279087) is (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine.
What is the SMILES notation for (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine?
The canonical SMILES for (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine is CC(C)(C)[Si](C)(C)OCCOCC[C@@H](N)CCC(F)(F)F.
What is the InChIKey of (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine?
The InChIKey is XDEWHISVMIDAIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30F3NO2Si/c1-13(2,3)21(4,5)20-11-10-19-9-7-12(18)6-8-14(15,16)17/h12H,6-11,18H2,1-5H3/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine?
(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine has a molecular weight of 329.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine is sourced from PubChem (CID 163279087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).