tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate

C15H20F3NO2 — CID 132545726

IUPACtert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)21-13(20)19-12(10-15(16,17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,20)
InChIKeyLOSMQVKMJRRRIG-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate

tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate (PubChem CID 132545726) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate
PubChem CID132545726
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nametert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)21-13(20)19-12(10-15(16,17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,20)
InChIKeyLOSMQVKMJRRRIG-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate (CID 132545726) is tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate?
The InChIKey is LOSMQVKMJRRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(2,3)21-13(20)19-12(10-15(16,17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate has a molecular weight of 303.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4,4-trifluoro-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 132545726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).