N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C11H20F3NO2 — CID 103028896

IUPACN-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C11H20F3NO2/c1-5-6-7-15(8-11(12,13)14)9(16)10(2,3)17-4/h5-8H2,1-4H3
InChIKeyQIXRNBSWZHCMHB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds6

About N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103028896) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103028896
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C11H20F3NO2/c1-5-6-7-15(8-11(12,13)14)9(16)10(2,3)17-4/h5-8H2,1-4H3
InChIKeyQIXRNBSWZHCMHB-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 103028896) is N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)C(C)(C)OC.
What is the InChIKey of N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QIXRNBSWZHCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-5-6-7-15(8-11(12,13)14)9(16)10(2,3)17-4/h5-8H2,1-4H3.
What are the key properties of N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 255.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103028896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).