4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline

C12H19F2NOSi — CID 140801934

IUPAC4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1ccc(N)cc1)C(F)F
InChIInChI=1S/C12H19F2NOSi/c1-12(11(13)14,16-17(2,3)4)9-5-7-10(15)8-6-9/h5-8,11H,15H2,1-4H3
InChIKeyGVZREIGCGPVJSA-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.60
Rot. Bonds4

About 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline

4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801934) has the molecular formula C12H19F2NOSi and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801934
Molecular FormulaC12H19F2NOSi
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1ccc(N)cc1)C(F)F
InChIInChI=1S/C12H19F2NOSi/c1-12(11(13)14,16-17(2,3)4)9-5-7-10(15)8-6-9/h5-8,11H,15H2,1-4H3
InChIKeyGVZREIGCGPVJSA-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.60
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-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801934) is 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline is CC(O[Si](C)(C)C)(c1ccc(N)cc1)C(F)F.
What is the InChIKey of 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is GVZREIGCGPVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NOSi/c1-12(11(13)14,16-17(2,3)4)9-5-7-10(15)8-6-9/h5-8,11H,15H2,1-4H3.
What are the key properties of 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 259.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).