2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

C10H17F4NO2 — CID 103900103

IUPAC2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-9(2,4-3-5-16)6-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyDEYYLJWGPZDRIJ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.80
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 103900103) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID103900103
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC Name2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-9(2,4-3-5-16)6-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyDEYYLJWGPZDRIJ-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide 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-[4,4-bis(hydroxymethyl)-7-[(2,2,2-trifluoroacetyl)amino]heptyl]-2,2,2-trifluoroacetamide
CID 19354207
2,2,2-trifluoro-N-[5-hydroxy-4-(hydroxymethyl)pentyl]acetamide
CID 57039387
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149400
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832
2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103733867
2,2,3,3-tetrafluoro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825268
3,3,3-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825302
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide
CID 103843201
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide
CID 103843283
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide
CID 103843679

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (CID 103900103) is 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is CC(C)(CCCO)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is DEYYLJWGPZDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c1-9(2,4-3-5-16)6-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 259.24 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 103900103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).