4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide

C10H18F3NO2 — CID 103825055

IUPAC4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
SMILESCC(C)(CCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,5-6-15)7-14-8(16)3-4-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNXTUCVQRMFEGFT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

About 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide

4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide (PubChem CID 103825055) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
PubChem CID103825055
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
SMILESCC(C)(CCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,5-6-15)7-14-8(16)3-4-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNXTUCVQRMFEGFT-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
CID 107300412
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
CID 161372422
4,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 168158646
5,5,5-trifluoro-N-(4-hydroxypentyl)-3-methylpentanamide
CID 168158668
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 175403237
2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide
CID 3477037
4,4,4-trifluoro-N-(3-hydroxy-2-methylpropyl)butanamide
CID 65711376
N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 66089271

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide (CID 103825055) is 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide is CC(C)(CCO)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The InChIKey is NXTUCVQRMFEGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,5-6-15)7-14-8(16)3-4-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 6 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-(4-hydroxy-2,2-dimethylbutyl)butanamide is sourced from PubChem (CID 103825055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).