4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

C11H20F3NO2 — CID 103899394

IUPAC4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCC(C)(CCCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-10(2,5-3-7-16)8-15-9(17)4-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17)
InChIKeyGGTVESVUOQFXLV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds7

About 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (PubChem CID 103899394) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
PubChem CID103899394
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCC(C)(CCCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-10(2,5-3-7-16)8-15-9(17)4-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17)
InChIKeyGGTVESVUOQFXLV-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
CID 79208548
N-(2-ethyl-4-hydroxybutyl)-4,4,4-trifluorobutanamide
CID 80308442
3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103526409
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
4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
CID 103782403
4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103825055

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (CID 103899394) is 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is CC(C)(CCCO)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The InChIKey is GGTVESVUOQFXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2,5-3-7-16)8-15-9(17)4-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is sourced from PubChem (CID 103899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).