N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide

C9H18FNO — CID 130165095

IUPACN-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(C)CNC(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO/c1-8(2,3)6-11-7(12)9(4,5)10/h6H2,1-5H3,(H,11,12)
InChIKeySHQRHNSFIUEXHX-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.90
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide

N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide (PubChem CID 130165095) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide
PubChem CID130165095
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(C)CNC(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO/c1-8(2,3)6-11-7(12)9(4,5)10/h6H2,1-5H3,(H,11,12)
InChIKeySHQRHNSFIUEXHX-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide 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-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide (CID 130165095) is N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide is CC(C)(C)CNC(=O)C(C)(C)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide?
The InChIKey is SHQRHNSFIUEXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,3)6-11-7(12)9(4,5)10/h6H2,1-5H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide?
N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide has a molecular weight of 175.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).