2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

C10H18F3NO2 — CID 107358309

IUPAC2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-8(4-2)9(16)14(5-6-15)7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyUDEPNWUPQFYKIY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.81
Rot. Bonds6

About 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 107358309) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID107358309
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-8(4-2)9(16)14(5-6-15)7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyUDEPNWUPQFYKIY-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107492651
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
CID 107483448
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107482299
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55121010
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 107358309) is 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UDEPNWUPQFYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-8(4-2)9(16)14(5-6-15)7-10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 107358309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).