N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

C13H24F3NO2 — CID 102914289

IUPACN-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(CNC(=O)CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C13H24F3NO2/c1-9(2)11(10(3)4)7-17-12(18)5-6-19-8-13(14,15)16/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyQMWUVRNMTJLNDD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds8

About N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 102914289) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID102914289
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(CNC(=O)CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C13H24F3NO2/c1-9(2)11(10(3)4)7-17-12(18)5-6-19-8-13(14,15)16/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyQMWUVRNMTJLNDD-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 102914289) is N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)C(CNC(=O)CCOCC(F)(F)F)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QMWUVRNMTJLNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-9(2)11(10(3)4)7-17-12(18)5-6-19-8-13(14,15)16/h9-11H,5-8H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.33 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 102914289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).