N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C10H13F6NO2 — CID 91691603

IUPACN-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCC(CC)CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-3-6(4-2)5-17(7(18)9(11,12)13)8(19)10(14,15)16/h6H,3-5H2,1-2H3
InChIKeyKOBMYYWEACBTAI-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.90
Rot. Bonds4

About N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 91691603) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID91691603
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC NameN-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCC(CC)CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-3-6(4-2)5-17(7(18)9(11,12)13)8(19)10(14,15)16/h6H,3-5H2,1-2H3
InChIKeyKOBMYYWEACBTAI-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 91691603) is N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is CCC(CC)CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is KOBMYYWEACBTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c1-3-6(4-2)5-17(7(18)9(11,12)13)8(19)10(14,15)16/h6H,3-5H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 293.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 91691603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).