tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate

C11H21F2NO3 — CID 130901810

IUPACtert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate
SMILESCC(CO)(CNC(=O)OC(C)(C)C)CC(F)F
InChIInChI=1S/C11H21F2NO3/c1-10(2,3)17-9(16)14-6-11(4,7-15)5-8(12)13/h8,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyBCJSFZOQCSOIJE-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.16
Rot. Bonds5

About tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate

tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate (PubChem CID 130901810) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate
PubChem CID130901810
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Nametert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate
SMILESCC(CO)(CNC(=O)OC(C)(C)C)CC(F)F
InChIInChI=1S/C11H21F2NO3/c1-10(2,3)17-9(16)14-6-11(4,7-15)5-8(12)13/h8,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyBCJSFZOQCSOIJE-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
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tert-butyl N-[2-(hydroxymethyl)-2-methyl-4-propan-2-ylsulfonylbutyl]carbamate
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tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
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tert-butyl N-[4-butoxy-2-(hydroxymethyl)-2-methylbutyl]carbamate
CID 106508706
tert-butyl N-[4-ethyl-2-(hydroxymethyl)-2-propylhexyl]carbamate
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tert-butyl N-[2-(hydroxymethyl)-3-(4-iodophenyl)-2-methylpropyl]carbamate
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tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
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2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate (CID 130901810) is tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate is CC(CO)(CNC(=O)OC(C)(C)C)CC(F)F.
What is the InChIKey of tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate?
The InChIKey is BCJSFZOQCSOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-10(2,3)17-9(16)14-6-11(4,7-15)5-8(12)13/h8,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate?
tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate has a molecular weight of 253.29 g/mol, XLogP of 2.16, 5 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-2-(hydroxymethyl)-2-methylbutyl]carbamate is sourced from PubChem (CID 130901810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).