N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H15F6NO2 — CID 103310215

IUPACN-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-2-6(3-4-18)5-17-8(19)7(9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3,(H,17,19)
InChIKeyYONSICHOMCBJQB-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.25
Rot. Bonds6

About N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310215) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310215
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-2-6(3-4-18)5-17-8(19)7(9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3,(H,17,19)
InChIKeyYONSICHOMCBJQB-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
CID 121399046
N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
4,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 168158646

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310215) is N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is YONSICHOMCBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-2-6(3-4-18)5-17-8(19)7(9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 295.22 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).