2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C10H18F3NO — CID 89141345

IUPAC2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(CC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-7(3)8(5-2)9(15)14-6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyCCWMAPSXRWQGJG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.74
Rot. Bonds5

About 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 89141345) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID89141345
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(CC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-7(3)8(5-2)9(15)14-6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyCCWMAPSXRWQGJG-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide 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

[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
2-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 90734304
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113233685
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 140847076
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113484799
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 144653484
1-cyclopropyl-1-[(2S,3R)-3-methylpentan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95317927

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 89141345) is 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CCC(C)C(CC)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is CCWMAPSXRWQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-7(3)8(5-2)9(15)14-6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 225.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 89141345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).