2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

C12H15Cl2F4NOSi — CID 140801937

IUPAC2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F
InChIInChI=1S/C12H15Cl2F4NOSi/c1-11(12(16,17)18,20-21(2,3)4)6-5-7(13)10(19)8(14)9(6)15/h5H,19H2,1-4H3
InChIKeyUOCCIUVAVAWYGG-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.34
Rot. Bonds3

About 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801937) has the molecular formula C12H15Cl2F4NOSi and a molecular weight of 364.24 g/mol. Its IUPAC name is 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801937
Molecular FormulaC12H15Cl2F4NOSi
Molecular Weight364.24 g/mol
Exact Mass363.02
IUPAC Name2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F
InChIInChI=1S/C12H15Cl2F4NOSi/c1-11(12(16,17)18,20-21(2,3)4)6-5-7(13)10(19)8(14)9(6)15/h5H,19H2,1-4H3
InChIKeyUOCCIUVAVAWYGG-UHFFFAOYSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801937) is 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is CC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F.
What is the InChIKey of 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is UOCCIUVAVAWYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F4NOSi/c1-11(12(16,17)18,20-21(2,3)4)6-5-7(13)10(19)8(14)9(6)15/h5H,19H2,1-4H3.
What are the key properties of 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 364.24 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).