N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide

C12H24FNO — CID 57275756

IUPACN-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide
SMILESCCCC(C)C(NC(C)=O)C(C)(C)CF
InChIInChI=1S/C12H24FNO/c1-6-7-9(2)11(14-10(3)15)12(4,5)8-13/h9,11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDLIKRFAUJOSJEW-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.92
Rot. Bonds6

About N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide

N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide (PubChem CID 57275756) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide
PubChem CID57275756
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC NameN-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide
SMILESCCCC(C)C(NC(C)=O)C(C)(C)CF
InChIInChI=1S/C12H24FNO/c1-6-7-9(2)11(14-10(3)15)12(4,5)8-13/h9,11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDLIKRFAUJOSJEW-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide 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 N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide?
The IUPAC name of N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide (CID 57275756) is N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide.
What is the SMILES notation for N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide?
The canonical SMILES for N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide is CCCC(C)C(NC(C)=O)C(C)(C)CF.
What is the InChIKey of N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide?
The InChIKey is DLIKRFAUJOSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-6-7-9(2)11(14-10(3)15)12(4,5)8-13/h9,11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide?
N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide has a molecular weight of 217.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide is sourced from PubChem (CID 57275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).