N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide

C11H18F3NO — CID 60717511

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H18F3NO/c1-3-4-10(16)15(7-11(12,13)14)8(2)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyZTCBLHSBPCTVGB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.98
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60717511) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60717511
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H18F3NO/c1-3-4-10(16)15(7-11(12,13)14)8(2)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyZTCBLHSBPCTVGB-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide 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-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 60717511) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide is CCCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZTCBLHSBPCTVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-3-4-10(16)15(7-11(12,13)14)8(2)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 237.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60717511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).