N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline

C18H23F2NOSi — CID 140666658

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H23F2NOSi/c1-18(2,3)23(4,5)22-17-8-6-15(7-9-17)21-16-11-13(19)10-14(20)12-16/h6-12,21H,1-5H3
InChIKeyHYHDTLPWQBCUSJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP6.09
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline (PubChem CID 140666658) has the molecular formula C18H23F2NOSi and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline
PubChem CID140666658
Molecular FormulaC18H23F2NOSi
Molecular Weight335.47 g/mol
Exact Mass335.15
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H23F2NOSi/c1-18(2,3)23(4,5)22-17-8-6-15(7-9-17)21-16-11-13(19)10-14(20)12-16/h6-12,21H,1-5H3
InChIKeyHYHDTLPWQBCUSJ-UHFFFAOYSA-N
XLogP6.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 56.09
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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline (CID 140666658) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline is CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline?
The InChIKey is HYHDTLPWQBCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NOSi/c1-18(2,3)23(4,5)22-17-8-6-15(7-9-17)21-16-11-13(19)10-14(20)12-16/h6-12,21H,1-5H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline has a molecular weight of 335.47 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3,5-difluoroaniline is sourced from PubChem (CID 140666658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).