N-(2-ethylbutyl)-4,4,4-trifluorobutanamide

C10H18F3NO — CID 115659906

IUPACN-(2-ethylbutyl)-4,4,4-trifluorobutanamide
SMILESCCC(CC)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(4-2)7-14-9(15)5-6-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyXPOCGZDAKQOYJN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds6

About N-(2-ethylbutyl)-4,4,4-trifluorobutanamide

N-(2-ethylbutyl)-4,4,4-trifluorobutanamide (PubChem CID 115659906) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4,4,4-trifluorobutanamide
PubChem CID115659906
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(2-ethylbutyl)-4,4,4-trifluorobutanamide
SMILESCCC(CC)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(4-2)7-14-9(15)5-6-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyXPOCGZDAKQOYJN-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 103153021
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
CID 115612989
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
6-ethyl-1,1,1-trifluorodecan-4-one
CID 79954755
6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(2-ethylbutyl)-4,4,4-trifluorobutanamide (CID 115659906) is N-(2-ethylbutyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(2-ethylbutyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(2-ethylbutyl)-4,4,4-trifluorobutanamide is CCC(CC)CNC(=O)CCC(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-4,4,4-trifluorobutanamide?
The InChIKey is XPOCGZDAKQOYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8(4-2)7-14-9(15)5-6-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylbutyl)-4,4,4-trifluorobutanamide?
N-(2-ethylbutyl)-4,4,4-trifluorobutanamide has a molecular weight of 225.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 115659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).