tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate

C10H18F2N2O3 — CID 130290980

IUPACtert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(F)F
InChIInChI=1S/C10H18F2N2O3/c1-6(8(15)13-5-7(11)12)14-9(16)17-10(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyNMGXKKHNUKBFSN-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 130290980) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID130290980
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Nametert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(F)F
InChIInChI=1S/C10H18F2N2O3/c1-6(8(15)13-5-7(11)12)14-9(16)17-10(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyNMGXKKHNUKBFSN-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-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

tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
ethyl 3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoate
CID 541663
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-[(2S)-1-[3-[4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propylamino]butylamino]propylamino]-1-oxopropan-2-yl]carbamate
CID 11006083
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
CID 57088208
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate (CID 130290980) is tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NCC(F)F.
What is the InChIKey of tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is NMGXKKHNUKBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c1-6(8(15)13-5-7(11)12)14-9(16)17-10(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 252.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 130290980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).