N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide

C12H22FNO2 — CID 166979434

IUPACN-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)C[C@H](F)NC(=O)C(C)(C)C
InChIInChI=1S/C12H22FNO2/c1-11(2,3)8(15)7-9(13)14-10(16)12(4,5)6/h9H,7H2,1-6H3,(H,14,16)/t9-/m1/s1
InChIKeyAYOLTPQPCJTKJA-SECBINFHSA-N
MW231.31 g/mol
LogP2.45
Rot. Bonds3

About N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide

N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide (PubChem CID 166979434) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
PubChem CID166979434
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC NameN-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)C[C@H](F)NC(=O)C(C)(C)C
InChIInChI=1S/C12H22FNO2/c1-11(2,3)8(15)7-9(13)14-10(16)12(4,5)6/h9H,7H2,1-6H3,(H,14,16)/t9-/m1/s1
InChIKeyAYOLTPQPCJTKJA-SECBINFHSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
CID 23184770
N-(3-fluoropropyl)-4-methyl-3-oxopentanamide
CID 117715394
N-(4,4-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 131064783
N-(5-acetamido-2,4,4-trimethylpentan-2-yl)carbamoyl fluoride
CID 144770486
N-[2,2,4-trimethyl-4-(2-methylpropanoylamino)pentyl]carbamoyl fluoride
CID 144985770
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785221
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979428
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979432
N-[(2S)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 167026074
N-(2,2,4-trimethylpentyl)propanamide
CID 71860184

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide (CID 166979434) is N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)C[C@H](F)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide?
The InChIKey is AYOLTPQPCJTKJA-SECBINFHSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-11(2,3)8(15)7-9(13)14-10(16)12(4,5)6/h9H,7H2,1-6H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide?
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide has a molecular weight of 231.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166979434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).