tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate

C10H21FN2O2 — CID 105475979

IUPACtert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(F)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21FN2O2/c1-9(2,3)15-8(14)13(5)7-10(4,11)6-12/h6-7,12H2,1-5H3
InChIKeyKLKJGAGSWNIGNB-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate

tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate (PubChem CID 105475979) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate
PubChem CID105475979
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Nametert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(F)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21FN2O2/c1-9(2,3)15-8(14)13(5)7-10(4,11)6-12/h6-7,12H2,1-5H3
InChIKeyKLKJGAGSWNIGNB-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate
CID 172915689
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate (CID 105475979) is tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate is CN(CC(C)(F)CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate?
The InChIKey is KLKJGAGSWNIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-9(2,3)15-8(14)13(5)7-10(4,11)6-12/h6-7,12H2,1-5H3.
What are the key properties of tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate?
tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate has a molecular weight of 220.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate is sourced from PubChem (CID 105475979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).