tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate

C10H19F2NO3 — CID 155277104

IUPACtert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCC(CO)(CC(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13-10(4,6-14)5-7(11)12/h7,14H,5-6H2,1-4H3,(H,13,15)
InChIKeyZADMGNULCPAIBA-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.92
Rot. Bonds4

About tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate

tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate (PubChem CID 155277104) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate
PubChem CID155277104
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCC(CO)(CC(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13-10(4,6-14)5-7(11)12/h7,14H,5-6H2,1-4H3,(H,13,15)
InChIKeyZADMGNULCPAIBA-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate (CID 155277104) is tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate is CC(CO)(CC(F)F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate?
The InChIKey is ZADMGNULCPAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13-10(4,6-14)5-7(11)12/h7,14H,5-6H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate?
tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate has a molecular weight of 239.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 155277104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).