4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline

C15H21F6NOSi — CID 87824967

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline
SMILESCC[Si](CC)(CC)OC(c1ccc(N)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H21F6NOSi/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/h7-10H,4-6,22H2,1-3H3
InChIKeyBYPVFLFGVIZWLW-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.61
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline (PubChem CID 87824967) has the molecular formula C15H21F6NOSi and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline
PubChem CID87824967
Molecular FormulaC15H21F6NOSi
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline
SMILESCC[Si](CC)(CC)OC(c1ccc(N)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H21F6NOSi/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/h7-10H,4-6,22H2,1-3H3
InChIKeyBYPVFLFGVIZWLW-UHFFFAOYSA-N
XLogP5.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
2-(4-Aminophenyl)propan-2-ol
CID 9543261
4-(((Trimethylsilyl)oxy)methyl)aniline
CID 11401321
2-(4-Amino-3-fluorophenyl)propan-2-ol
CID 70331607
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)aniline
CID 89003997
Trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
CID 86223117
4-Aminobenzyloxy-tert-butyldimethylsilane
CID 11075470
2-(4-Aminophenyl)pent-4-en-2-ol
CID 17603973
5-(4-Aminophenyl)nonan-5-ol
CID 69589540
2-(4-Amino-2-fluoro-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 11265869
2-(1,3-Dimethylbutyl)-4-[1-methoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-aniline
CID 12115479
2-(4-Amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14510512

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline (CID 87824967) is 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline 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)aniline?
The InChIKey is BYPVFLFGVIZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6NOSi/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/h7-10H,4-6,22H2,1-3H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline?
4-(1,1,1,3,3,3-hexafluoro-2-triethylsilyloxypropan-2-yl)aniline has a molecular weight of 373.41 g/mol, XLogP of 5.61, 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)aniline is sourced from PubChem (CID 87824967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).