N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline

C18H24FNOSi — CID 140666698

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-15-12-10-14(11-13-15)20-17-9-7-6-8-16(17)19/h6-13,20H,1-5H3
InChIKeyVCNUFKVIGCEXMS-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.95
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline (PubChem CID 140666698) has the molecular formula C18H24FNOSi and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline
PubChem CID140666698
Molecular FormulaC18H24FNOSi
Molecular Weight317.48 g/mol
Exact Mass317.16
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-15-12-10-14(11-13-15)20-17-9-7-6-8-16(17)19/h6-13,20H,1-5H3
InChIKeyVCNUFKVIGCEXMS-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.95
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]-2-fluoroaniline?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline (CID 140666698) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline is CC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccccc2F)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline?
The InChIKey is VCNUFKVIGCEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-15-12-10-14(11-13-15)20-17-9-7-6-8-16(17)19/h6-13,20H,1-5H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-fluoroaniline has a molecular weight of 317.48 g/mol, XLogP of 5.95, 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]-2-fluoroaniline is sourced from PubChem (CID 140666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).