N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

C18H22F3NOSi — CID 71211638

IUPACN-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1ccc(Nc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H22F3NOSi/c1-17(18(19,20)21,23-24(2,3)4)14-10-12-16(13-11-14)22-15-8-6-5-7-9-15/h5-13,22H,1-4H3
InChIKeySKRCFIYRXVPAKK-UHFFFAOYSA-N
MW353.46 g/mol
LogP6.06
Rot. Bonds5

About N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 71211638) has the molecular formula C18H22F3NOSi and a molecular weight of 353.46 g/mol. Its IUPAC name is N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID71211638
Molecular FormulaC18H22F3NOSi
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC NameN-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1ccc(Nc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H22F3NOSi/c1-17(18(19,20)21,23-24(2,3)4)14-10-12-16(13-11-14)22-15-8-6-5-7-9-15/h5-13,22H,1-4H3
InChIKeySKRCFIYRXVPAKK-UHFFFAOYSA-N
XLogP6.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 56.06
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 N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 71211638) is N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is CC(O[Si](C)(C)C)(c1ccc(Nc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is SKRCFIYRXVPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NOSi/c1-17(18(19,20)21,23-24(2,3)4)14-10-12-16(13-11-14)22-15-8-6-5-7-9-15/h5-13,22H,1-4H3.
What are the key properties of N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 353.46 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 71211638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).