N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide

C9H18F2N2O2 — CID 14720108

IUPACN-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
SMILESCC(=O)NCC(F)(F)C(O)C(N)C(C)C
InChIInChI=1S/C9H18F2N2O2/c1-5(2)7(12)8(15)9(10,11)4-13-6(3)14/h5,7-8,15H,4,12H2,1-3H3,(H,13,14)
InChIKeyJGIIJGGPVZWIOE-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.10
Rot. Bonds5

About N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide

N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide (PubChem CID 14720108) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
PubChem CID14720108
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
SMILESCC(=O)NCC(F)(F)C(O)C(N)C(C)C
InChIInChI=1S/C9H18F2N2O2/c1-5(2)7(12)8(15)9(10,11)4-13-6(3)14/h5,7-8,15H,4,12H2,1-3H3,(H,13,14)
InChIKeyJGIIJGGPVZWIOE-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide?
The IUPAC name of N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide (CID 14720108) is N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide.
What is the SMILES notation for N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide?
The canonical SMILES for N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide is CC(=O)NCC(F)(F)C(O)C(N)C(C)C.
What is the InChIKey of N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide?
The InChIKey is JGIIJGGPVZWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-5(2)7(12)8(15)9(10,11)4-13-6(3)14/h5,7-8,15H,4,12H2,1-3H3,(H,13,14).
What are the key properties of N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide?
N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide has a molecular weight of 224.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide is sourced from PubChem (CID 14720108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).