N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NO — CID 88872622

IUPACN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)CN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C10H18F3NO/c1-4-9(5-2)6-14(8(3)15)7-10(11,12)13/h9H,4-7H2,1-3H3
InChIKeyNJULXIOFSMFSGA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds5

About N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 88872622) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID88872622
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)CN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C10H18F3NO/c1-4-9(5-2)6-14(8(3)15)7-10(11,12)13/h9H,4-7H2,1-3H3
InChIKeyNJULXIOFSMFSGA-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 88872622) is N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)CN(CC(F)(F)F)C(C)=O.
What is the InChIKey of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NJULXIOFSMFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-9(5-2)6-14(8(3)15)7-10(11,12)13/h9H,4-7H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide 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-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 88872622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).