N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide

C10H18F3NO — CID 62491296

IUPACN-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
SMILESCCC(CC)CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-8(5-2)7-14(6-3)9(15)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeySHLMYAMQTVMJFC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide

N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide (PubChem CID 62491296) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
PubChem CID62491296
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
SMILESCCC(CC)CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-8(5-2)7-14(6-3)9(15)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeySHLMYAMQTVMJFC-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N-Bis(trifluoroacetyl)-2-ethylbutan-1-amine
CID 91691603
N-butyl-2-methyl-N-(trifluoromethyl)butanamide
CID 44550872
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
2,2,2-Trifluoro-3,4,5-trimethylazepan-1-yl)ethan-1-one
CID 172418726
Acetamide, 2,2,2-trifluoro-N,N-bis(2-methylpropyl)-
CID 546614
N,N-Di(2-ethylhexyl)trifluoroacetamide
CID 587630
Acetamide, N-(2-ethylhexyl)-2,2,2-trifluoro-N-methyl-
CID 587683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide (CID 62491296) is N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide is CCC(CC)CN(CC)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide?
The InChIKey is SHLMYAMQTVMJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-8(5-2)7-14(6-3)9(15)10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide?
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide has a molecular weight of 225.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62491296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).