N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H20F3NO2 — CID 86990297

IUPACN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CCC(C)NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)4-5-9(3)15-10(16)6-17-7-11(12,13)14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyLEVWKPFIXFFAAV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990297) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990297
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CCC(C)NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)4-5-9(3)15-10(16)6-17-7-11(12,13)14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyLEVWKPFIXFFAAV-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990297) is N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)CCC(C)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LEVWKPFIXFFAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)4-5-9(3)15-10(16)6-17-7-11(12,13)14/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).