tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate

C14H18F3NO2 — CID 101484257

IUPACtert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)20-12(19)18-11(14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyQELKKVYZJHOEEE-LLVKDONJSA-N
MW289.30 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate (PubChem CID 101484257) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate
PubChem CID101484257
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Nametert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)20-12(19)18-11(14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyQELKKVYZJHOEEE-LLVKDONJSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(2-phenylethyl)carbamate
CID 247630
tert-Butyl Benzylcarbamate
CID 4615331
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
2,2,2-trifluoroethyl N-benzylcarbamate
CID 9397960
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate (CID 101484257) is tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate?
The InChIKey is QELKKVYZJHOEEE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2,3)20-12(19)18-11(14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate has a molecular weight of 289.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 101484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).