tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate

C15H20F3NO2 — CID 102395372

IUPACtert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-5-12(19-13(20)21-14(2,3)4)10-6-8-11(9-7-10)15(16,17)18/h6-9,12H,5H2,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyCGKJJUKVNOFXLZ-LBPRGKRZSA-N
MW303.32 g/mol
LogP4.68
Rot. Bonds3

About tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate

tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate (PubChem CID 102395372) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
PubChem CID102395372
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nametert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-5-12(19-13(20)21-14(2,3)4)10-6-8-11(9-7-10)15(16,17)18/h6-9,12H,5H2,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyCGKJJUKVNOFXLZ-LBPRGKRZSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate (CID 102395372) is tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The InChIKey is CGKJJUKVNOFXLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-5-12(19-13(20)21-14(2,3)4)10-6-8-11(9-7-10)15(16,17)18/h6-9,12H,5H2,1-4H3,(H,19,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 102395372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).