tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate

C15H20F3NO3 — CID 66635640

IUPACtert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3/c1-14(2,3)22-13(21)19-8-11(9-20)10-5-4-6-12(7-10)15(16,17)18/h4-7,11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeySTBWSNKODNPZNX-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate

tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate (PubChem CID 66635640) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate
PubChem CID66635640
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3/c1-14(2,3)22-13(21)19-8-11(9-20)10-5-4-6-12(7-10)15(16,17)18/h4-7,11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeySTBWSNKODNPZNX-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one
CID 21350392
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
Carbamic acid, ethyl-, beta-ethyl-beta-(hydroxymethyl)phenethyl ester, carbamate (ester)
CID 213162
tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
CID 102153759
tert-butyl N-(2-benzyl-3-hydroxypropyl)carbamate
CID 21636957
tert-Butyl 4-(hydroxymethyl)phenethylcarbamate
CID 22337080
tert-butyl N-((2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
CID 22874327
tert-butyl N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 69232747
tert-butyl N-((3-(2-hydroxyethyl)phenyl)methyl)carbamate
CID 72207051
((1R,2R)-2-Fluoro-1-hydroxymethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
CID 25266503
(S)-[1-(3-fluoro-phenyl)-3-hydroxy-propyl]-carbamic acid tert-butyl ester
CID 27281789
(S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
CID 58282810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate (CID 66635640) is tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate is CC(C)(C)OC(=O)NCC(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate?
The InChIKey is STBWSNKODNPZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-14(2,3)22-13(21)19-8-11(9-20)10-5-4-6-12(7-10)15(16,17)18/h4-7,11,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate?
tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate has a molecular weight of 319.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 66635640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).