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

C12H22F3NO2 — CID 111485192

IUPAC4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(2)4-6-11(3,18)8-16-10(17)5-7-12(13,14)15/h9,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyKQIONYQBSAPBND-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.63
Rot. Bonds7

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

4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide (PubChem CID 111485192) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
PubChem CID111485192
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(2)4-6-11(3,18)8-16-10(17)5-7-12(13,14)15/h9,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyKQIONYQBSAPBND-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
CID 111485200
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111455658
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
2,5,8-trimethylnonan-5-ol
CID 58574498
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
CID 111825763
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 111455496
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485507

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide (CID 111485192) is 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide is CC(C)CCC(C)(O)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide?
The InChIKey is KQIONYQBSAPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)4-6-11(3,18)8-16-10(17)5-7-12(13,14)15/h9,18H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide?
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide has a molecular weight of 269.31 g/mol, XLogP of 2.63, 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-(2-hydroxy-2,5-dimethylhexyl)butanamide is sourced from PubChem (CID 111485192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).