tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate

C15H20F3NO2 — CID 143988423

IUPACtert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20F3NO2/c1-10(19-13(20)21-14(2,3)4)9-11-5-7-12(8-6-11)15(16,17)18/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyNHKGDHWETHICSZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate

tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate (PubChem CID 143988423) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
PubChem CID143988423
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20F3NO2/c1-10(19-13(20)21-14(2,3)4)9-11-5-7-12(8-6-11)15(16,17)18/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyNHKGDHWETHICSZ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 140541784
tert-butyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propanoate
CID 20674576
tert-butyl N-[1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 155783295
propan-2-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 57410557
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[1-[4-(2-hydroperoxyethyl)phenyl]propan-2-yl]carbamate
CID 20674580
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 154815308
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
tert-butyl N-[1-(3-amino-4-fluorophenyl)propan-2-yl]carbamate
CID 84712221
[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butyl] methanesulfonate
CID 87254274
tert-butyl N-[3-(4-hydroxyphenyl)-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 175450551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate (CID 143988423) is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The InChIKey is NHKGDHWETHICSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(19-13(20)21-14(2,3)4)9-11-5-7-12(8-6-11)15(16,17)18/h5-8,10H,9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 143988423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).