N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide

C10H18F3NO2 — CID 175102187

IUPACN-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC(C)(CC)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyGAQUEIQEUSLDJE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds5

About N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide

N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 175102187) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID175102187
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC(C)(CC)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyGAQUEIQEUSLDJE-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide (CID 175102187) is N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide is CCC(C)(CC)C(CO)NC(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GAQUEIQEUSLDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide?
N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 175102187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).