N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline

C18H31F2NSi — CID 87114746

IUPACN-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline
SMILESCCCCCC[Si](C)(C)N(CCCC)c1ccc(F)cc1F
InChIInChI=1S/C18H31F2NSi/c1-5-7-9-10-14-22(3,4)21(13-8-6-2)18-12-11-16(19)15-17(18)20/h11-12,15H,5-10,13-14H2,1-4H3
InChIKeyYKKTZOFPAMGECS-UHFFFAOYSA-N
MW327.54 g/mol
LogP6.36
Rot. Bonds10

About N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline

N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline (PubChem CID 87114746) has the molecular formula C18H31F2NSi and a molecular weight of 327.54 g/mol. Its IUPAC name is N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline.

Molecular Properties

Compound NameN-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline
PubChem CID87114746
Molecular FormulaC18H31F2NSi
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC NameN-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline
SMILESCCCCCC[Si](C)(C)N(CCCC)c1ccc(F)cc1F
InChIInChI=1S/C18H31F2NSi/c1-5-7-9-10-14-22(3,4)21(13-8-6-2)18-12-11-16(19)15-17(18)20/h11-12,15H,5-10,13-14H2,1-4H3
InChIKeyYKKTZOFPAMGECS-UHFFFAOYSA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-hexyl-N-nonylaniline
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N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
2,4-difluoro-1-[hexadecyl(sulfino)amino]benzene
CID 174372553
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117
N-butyl-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 87694469
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 71458389
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline?
The IUPAC name of N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline (CID 87114746) is N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline.
What is the SMILES notation for N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline?
The canonical SMILES for N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline is CCCCCC[Si](C)(C)N(CCCC)c1ccc(F)cc1F.
What is the InChIKey of N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline?
The InChIKey is YKKTZOFPAMGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2NSi/c1-5-7-9-10-14-22(3,4)21(13-8-6-2)18-12-11-16(19)15-17(18)20/h11-12,15H,5-10,13-14H2,1-4H3.
What are the key properties of N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline?
N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline has a molecular weight of 327.54 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline is sourced from PubChem (CID 87114746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).