2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide

C9H14F3NO — CID 126792716

IUPAC2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCC(C)C(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-5(2)8(14)13-7-3-6(4-7)9(10,11)12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXTHQYBYKHHCEB-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide

2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide (PubChem CID 126792716) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide
PubChem CID126792716
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCC(C)C(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-5(2)8(14)13-7-3-6(4-7)9(10,11)12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXTHQYBYKHHCEB-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide (CID 126792716) is 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide is CC(C)C(=O)NC1CC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The InChIKey is QXTHQYBYKHHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-5(2)8(14)13-7-3-6(4-7)9(10,11)12/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide?
2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide has a molecular weight of 209.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)cyclobutyl]propanamide is sourced from PubChem (CID 126792716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).