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

C12H16ClF4NOSi — CID 140801941

IUPAC2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(F)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C12H16ClF4NOSi/c1-11(12(15,16)17,19-20(2,3)4)7-5-8(13)10(18)9(14)6-7/h5-6H,18H2,1-4H3
InChIKeyBECYEVMRIDSGBW-UHFFFAOYSA-N
MW329.80 g/mol
LogP4.69
Rot. Bonds3

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

2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801941) has the molecular formula C12H16ClF4NOSi and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801941
Molecular FormulaC12H16ClF4NOSi
Molecular Weight329.80 g/mol
Exact Mass329.06
IUPAC Name2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(F)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C12H16ClF4NOSi/c1-11(12(15,16)17,19-20(2,3)4)7-5-8(13)10(18)9(14)6-7/h5-6H,18H2,1-4H3
InChIKeyBECYEVMRIDSGBW-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801941) is 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is CC(O[Si](C)(C)C)(c1cc(F)c(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is BECYEVMRIDSGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF4NOSi/c1-11(12(15,16)17,19-20(2,3)4)7-5-8(13)10(18)9(14)6-7/h5-6H,18H2,1-4H3.
What are the key properties of 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 329.80 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).