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

C10H18F3NO2 — CID 103899402

IUPAC3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,4-3-5-15)7-14-8(16)6-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVJKUUTXCZJUYBX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

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

3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 103899402) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID103899402
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,4-3-5-15)7-14-8(16)6-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVJKUUTXCZJUYBX-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

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
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 80308123
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
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103733867
4,4,4-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103825055

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (CID 103899402) is 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is CC(C)(CCCO)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is VJKUUTXCZJUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,4-3-5-15)7-14-8(16)6-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide 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 3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 103899402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).