tert-butyl-[(4-fluorophenyl)methyl]azanium

C11H17FN+ — CID 4921933

IUPACtert-butyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)[NH2+]Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3/p+1
InChIKeyLPILEJRPIAXWIE-UHFFFAOYSA-O
MW182.26 g/mol
LogP1.69
Rot. Bonds2

About tert-butyl-[(4-fluorophenyl)methyl]azanium

tert-butyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 4921933) has the molecular formula C11H17FN+ and a molecular weight of 182.26 g/mol. Its IUPAC name is tert-butyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(4-fluorophenyl)methyl]azanium
PubChem CID4921933
Molecular FormulaC11H17FN+
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametert-butyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)[NH2+]Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3/p+1
InChIKeyLPILEJRPIAXWIE-UHFFFAOYSA-O
XLogP1.69
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of tert-butyl-[(4-fluorophenyl)methyl]azanium (CID 4921933) is tert-butyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for tert-butyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for tert-butyl-[(4-fluorophenyl)methyl]azanium is CC(C)(C)[NH2+]Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is LPILEJRPIAXWIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16FN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3/p+1.
What are the key properties of tert-butyl-[(4-fluorophenyl)methyl]azanium?
tert-butyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 182.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 4921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).