tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate

C12H24F2N2O3 — CID 88612782

IUPACtert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(O)C(F)(F)CN
InChIInChI=1S/C12H24F2N2O3/c1-7(2)8(9(17)12(13,14)6-15)16-10(18)19-11(3,4)5/h7-9,17H,6,15H2,1-5H3,(H,16,18)
InChIKeyGIBILCFCRWWPGT-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.49
Rot. Bonds5

About tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate

tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate (PubChem CID 88612782) has the molecular formula C12H24F2N2O3 and a molecular weight of 282.33 g/mol. Its IUPAC name is tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate
PubChem CID88612782
Molecular FormulaC12H24F2N2O3
Molecular Weight282.33 g/mol
Exact Mass282.18
IUPAC Nametert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(O)C(F)(F)CN
InChIInChI=1S/C12H24F2N2O3/c1-7(2)8(9(17)12(13,14)6-15)16-10(18)19-11(3,4)5/h7-9,17H,6,15H2,1-5H3,(H,16,18)
InChIKeyGIBILCFCRWWPGT-UHFFFAOYSA-N
XLogP1.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate (CID 88612782) is tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(O)C(F)(F)CN.
What is the InChIKey of tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate?
The InChIKey is GIBILCFCRWWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O3/c1-7(2)8(9(17)12(13,14)6-15)16-10(18)19-11(3,4)5/h7-9,17H,6,15H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate?
tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate has a molecular weight of 282.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate is sourced from PubChem (CID 88612782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).