tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate

C9H18F2N2O2 — CID 87770356

IUPACtert-butyl N-(4-amino-3,3-difluorobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-8(2,3)15-7(14)13-5-4-9(10,11)6-12/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyHMXXEOUAHXYGFT-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.50
Rot. Bonds4

About tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate

tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate (PubChem CID 87770356) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-3,3-difluorobutyl)carbamate
PubChem CID87770356
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-(4-amino-3,3-difluorobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-8(2,3)15-7(14)13-5-4-9(10,11)6-12/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyHMXXEOUAHXYGFT-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate (CID 87770356) is tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate is CC(C)(C)OC(=O)NCCC(F)(F)CN.
What is the InChIKey of tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate?
The InChIKey is HMXXEOUAHXYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-8(2,3)15-7(14)13-5-4-9(10,11)6-12/h4-6,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate?
tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate has a molecular weight of 224.25 g/mol, XLogP of 1.50, 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-amino-3,3-difluorobutyl)carbamate is sourced from PubChem (CID 87770356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).