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

Name: (3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₃₀F₃NO₂Si — CID 163279087

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	163279087
Molecular Formula	C₁₄H₃₀F₃NO₂Si
Molecular Weight	329.48 g/mol
Exact Mass	329.20
IUPAC Name	(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
SMILES	CC(C)(C)[Si](C)(C)OCCOCC[C@@H](N)CCC(F)(F)F
InChI	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
InChIKey	XDEWHISVMIDAIA-LBPRGKRZSA-N
XLogP	4.08
TPSA	44.48 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	9
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.48
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 163279087 — identifiers, structure, computed properties (public domain)

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