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

C8H16F2N2O2 — CID 75481390

IUPACtert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O2/c1-7(2,3)14-6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyNKSNFHIQHSKDKB-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.11
Rot. Bonds3

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

tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate (PubChem CID 75481390) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
PubChem CID75481390
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Nametert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O2/c1-7(2,3)14-6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyNKSNFHIQHSKDKB-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-amino-2,2-difluoropropyl)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-(3-amino-2,2-difluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate (CID 75481390) is tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate is CC(C)(C)OC(=O)NCC(F)(F)CN.
What is the InChIKey of tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate?
The InChIKey is NKSNFHIQHSKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-7(2,3)14-6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate?
tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate has a molecular weight of 210.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate is sourced from PubChem (CID 75481390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).