tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate

C10H18F3NO3 — CID 87666537

IUPACtert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC([C@@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(10(11,12)13)7(5-15)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16)/t6?,7-/m1/s1
InChIKeyDSBCEEIJXRBXGR-COBSHVIPSA-N
MW257.25 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate

tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 87666537) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID87666537
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC([C@@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(10(11,12)13)7(5-15)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16)/t6?,7-/m1/s1
InChIKeyDSBCEEIJXRBXGR-COBSHVIPSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-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

tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 130004044
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-[(3R)-4-hydroxy-3-(methoxycarbonylamino)-2-methylbutyl]carbamate
CID 163638463
tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
CID 171802376
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
CID 58879226
CID 58879226
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 87666537) is tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate is CC([C@@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is DSBCEEIJXRBXGR-COBSHVIPSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-6(10(11,12)13)7(5-15)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16)/t6?,7-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 87666537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).