tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate

C8H14F3NO3 — CID 14377427

IUPACtert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-5(4-13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyRTJICTSWXPIQIQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.43
Rot. Bonds2

About tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate

tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate (PubChem CID 14377427) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate
PubChem CID14377427
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-5(4-13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyRTJICTSWXPIQIQ-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-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

1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
CID 7023103
N-Boc-serinol
CID 10631565
tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 11263954
tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
CID 13200309
N-Boc-DL-2-amino-1-butanol
CID 15339785
tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
CID 519356
tert-butyl N-(1-hydroxypropan-2-yl)carbamate
CID 545701
tert-butyl N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)carbamate
CID 10610231
tert-butyl N-[(2S,3S)-3-hydroxybutan-2-yl]carbamate
CID 10921308
tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate
CID 11183099
N-Boc-(R)-(+)-2-amino-1-butanol
CID 11435422
N-Boc-(R)-2-amino-3-methoxy-1-propanol
CID 15287812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate (CID 14377427) is tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)C(F)(F)F.
What is the InChIKey of tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate?
The InChIKey is RTJICTSWXPIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-5(4-13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate?
tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate has a molecular weight of 229.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 14377427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).