2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride

C19H36FNO2 — CID 144742521

IUPAC2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride
SMILESCC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)C(=O)F
InChIInChI=1S/C19H36FNO2/c1-16(2,3)11-17(4,5)10-14(22)21-13-18(6,7)12-19(8,9)15(20)23/h10-13H2,1-9H3,(H,21,22)
InChIKeyBZNJFTUVJQWKHW-UHFFFAOYSA-N
MW329.50 g/mol
LogP4.89
Rot. Bonds8

About 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride

2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride (PubChem CID 144742521) has the molecular formula C19H36FNO2 and a molecular weight of 329.50 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride
PubChem CID144742521
Molecular FormulaC19H36FNO2
Molecular Weight329.50 g/mol
Exact Mass329.27
IUPAC Name2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride
SMILESCC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)C(=O)F
InChIInChI=1S/C19H36FNO2/c1-16(2,3)11-17(4,5)10-14(22)21-13-18(6,7)12-19(8,9)15(20)23/h10-13H2,1-9H3,(H,21,22)
InChIKeyBZNJFTUVJQWKHW-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride 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-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
N-[6-(3,3-dimethylbutanoylamino)hexyl]-3,3-dimethylbutanamide
CID 4454112
N-(4,4-dimethyl-5-oxoheptyl)-2,2,2-trifluoroacetamide
CID 135010069
2-ethyl-N-(2-ethylhexyl)hexanamide
CID 4549756
2-Tert-butyl-2,4,4,5,5,8,8-heptamethyl-6-(propan-2-ylcarbamoyl)nonanoyl fluoride
CID 132048567
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368
2-butyl-2-methyl-N-(3,3,3-trifluoropropyl)nonanamide
CID 167291541
2-hexyl-2-methyl-N-(3,3,3-trifluoropropyl)octanamide
CID 174357462
2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
CID 2931594
3,5,5-trimethyl-N-(2-methylpropyl)hexanamide
CID 53962467
N-ethyl-3,5,5-trimethylhexanamide
CID 88875392
3,5,5-trimethyl-N-pentylhexanamide
CID 151425945

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride?
The IUPAC name of 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride (CID 144742521) is 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride?
The canonical SMILES for 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride is CC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)C(=O)F.
What is the InChIKey of 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride?
The InChIKey is BZNJFTUVJQWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FNO2/c1-16(2,3)11-17(4,5)10-14(22)21-13-18(6,7)12-19(8,9)15(20)23/h10-13H2,1-9H3,(H,21,22).
What are the key properties of 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride?
2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride has a molecular weight of 329.50 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride is sourced from PubChem (CID 144742521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).