(2-acetyl-4-fluoro-4-methylpentyl)azanium

C8H17FNO+ — CID 159752519

IUPAC(2-acetyl-4-fluoro-4-methylpentyl)azanium
SMILESCC(=O)C(C[NH3+])CC(C)(C)F
InChIInChI=1S/C8H16FNO/c1-6(11)7(5-10)4-8(2,3)9/h7H,4-5,10H2,1-3H3/p+1
InChIKeyNDVCZTIYPZWCQQ-UHFFFAOYSA-O
MW162.23 g/mol
LogP0.57
Rot. Bonds4

About (2-acetyl-4-fluoro-4-methylpentyl)azanium

(2-acetyl-4-fluoro-4-methylpentyl)azanium (PubChem CID 159752519) has the molecular formula C8H17FNO+ and a molecular weight of 162.23 g/mol. Its IUPAC name is (2-acetyl-4-fluoro-4-methylpentyl)azanium.

Molecular Properties

Compound Name(2-acetyl-4-fluoro-4-methylpentyl)azanium
PubChem CID159752519
Molecular FormulaC8H17FNO+
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(2-acetyl-4-fluoro-4-methylpentyl)azanium
SMILESCC(=O)C(C[NH3+])CC(C)(C)F
InChIInChI=1S/C8H16FNO/c1-6(11)7(5-10)4-8(2,3)9/h7H,4-5,10H2,1-3H3/p+1
InChIKeyNDVCZTIYPZWCQQ-UHFFFAOYSA-O
XLogP0.57
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-acetyl-4-fluoro-4-methylpentyl)azanium 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 (2-acetyl-4-fluoro-4-methylpentyl)azanium?
The IUPAC name of (2-acetyl-4-fluoro-4-methylpentyl)azanium (CID 159752519) is (2-acetyl-4-fluoro-4-methylpentyl)azanium.
What is the SMILES notation for (2-acetyl-4-fluoro-4-methylpentyl)azanium?
The canonical SMILES for (2-acetyl-4-fluoro-4-methylpentyl)azanium is CC(=O)C(C[NH3+])CC(C)(C)F.
What is the InChIKey of (2-acetyl-4-fluoro-4-methylpentyl)azanium?
The InChIKey is NDVCZTIYPZWCQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16FNO/c1-6(11)7(5-10)4-8(2,3)9/h7H,4-5,10H2,1-3H3/p+1.
What are the key properties of (2-acetyl-4-fluoro-4-methylpentyl)azanium?
(2-acetyl-4-fluoro-4-methylpentyl)azanium has a molecular weight of 162.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-4-fluoro-4-methylpentyl)azanium is sourced from PubChem (CID 159752519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).