tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate

C9H18F2N2O2 — CID 105481712

IUPACtert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
SMILESCN(CC(N)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13(4)5-6(12)7(10)11/h6-7H,5,12H2,1-4H3
InChIKeyMHUUDUZNWCAMEN-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate

tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate (PubChem CID 105481712) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
PubChem CID105481712
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
SMILESCN(CC(N)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13(4)5-6(12)7(10)11/h6-7H,5,12H2,1-4H3
InChIKeyMHUUDUZNWCAMEN-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 59201362
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
CID 70328210
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate (CID 105481712) is tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate is CN(CC(N)C(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate?
The InChIKey is MHUUDUZNWCAMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13(4)5-6(12)7(10)11/h6-7H,5,12H2,1-4H3.
What are the key properties of tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate?
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate has a molecular weight of 224.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate is sourced from PubChem (CID 105481712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).