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

C8H11F6NO3 — CID 22282534

IUPACtert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-5(2,3)18-4(16)15-6(17,7(9,10)11)8(12,13)14/h17H,1-3H3,(H,15,16)
InChIKeyBHPIIGCIWZJPGA-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.32
Rot. Bonds1

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

tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate (PubChem CID 22282534) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
PubChem CID22282534
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Nametert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-5(2,3)18-4(16)15-6(17,7(9,10)11)8(12,13)14/h17H,1-3H3,(H,15,16)
InChIKeyBHPIIGCIWZJPGA-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-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

ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
tert-butyl N-(4-bromo-1,1,1-trifluoro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701574
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7004985
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-4-enoate
CID 57372807
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
CID 84723535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate (CID 22282534) is tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate?
The InChIKey is BHPIIGCIWZJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3/c1-5(2,3)18-4(16)15-6(17,7(9,10)11)8(12,13)14/h17H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate?
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate has a molecular weight of 283.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 22282534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).