2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline

C12H17Cl2F2NOSi — CID 140801935

IUPAC2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1)C(F)F
InChIInChI=1S/C12H17Cl2F2NOSi/c1-12(11(15)16,18-19(2,3)4)7-5-8(13)10(17)9(14)6-7/h5-6,11H,17H2,1-4H3
InChIKeyQLUNPULGBFDVIS-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.91
Rot. Bonds4

About 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline

2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801935) has the molecular formula C12H17Cl2F2NOSi and a molecular weight of 328.26 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801935
Molecular FormulaC12H17Cl2F2NOSi
Molecular Weight328.26 g/mol
Exact Mass327.04
IUPAC Name2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1)C(F)F
InChIInChI=1S/C12H17Cl2F2NOSi/c1-12(11(15)16,18-19(2,3)4)7-5-8(13)10(17)9(14)6-7/h5-6,11H,17H2,1-4H3
InChIKeyQLUNPULGBFDVIS-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.91
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

4-{1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[(trimethylsilyl)-oxy]ethyl}aniline
CID 67172414
2-(4-Amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 69109376
1-(4-Amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 86674605
2-(4-Amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118070150
2-(4-Amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130274649
1-(4-Amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130274748
2,6-Dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
CID 130275816
(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130276472
2-(4-Amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130276475
2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
CID 140801931
2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl]aniline
CID 140801933
2,6-Dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 140801937

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801935) is 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline is CC(O[Si](C)(C)C)(c1cc(Cl)c(N)c(Cl)c1)C(F)F.
What is the InChIKey of 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is QLUNPULGBFDVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2F2NOSi/c1-12(11(15)16,18-19(2,3)4)7-5-8(13)10(17)9(14)6-7/h5-6,11H,17H2,1-4H3.
What are the key properties of 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline?
2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 328.26 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).