2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide

C9H12F3NO2 — CID 71042482

IUPAC2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide
SMILESCC(C)C(=O)NC1(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c1-5(2)6(14)13-8(3-4-8)7(15)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyIRMZNPOAUCTNTL-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide

2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide (PubChem CID 71042482) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide
PubChem CID71042482
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide
SMILESCC(C)C(=O)NC1(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c1-5(2)6(14)13-8(3-4-8)7(15)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyIRMZNPOAUCTNTL-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide (CID 71042482) is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide is CC(C)C(=O)NC1(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide?
The InChIKey is IRMZNPOAUCTNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-5(2)6(14)13-8(3-4-8)7(15)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide?
2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide has a molecular weight of 223.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)cyclopropyl]propanamide is sourced from PubChem (CID 71042482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).