N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H16F3NO3 — CID 78956727

IUPACN-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(CNC(=O)CCOCC(F)(F)F)COC1
InChIInChI=1S/C10H16F3NO3/c1-9(5-17-6-9)4-14-8(15)2-3-16-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeySIKMZWHZKZXUTI-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.11
Rot. Bonds6

About N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 78956727) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID78956727
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(CNC(=O)CCOCC(F)(F)F)COC1
InChIInChI=1S/C10H16F3NO3/c1-9(5-17-6-9)4-14-8(15)2-3-16-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeySIKMZWHZKZXUTI-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide 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-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 78956727) is N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is CC1(CNC(=O)CCOCC(F)(F)F)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SIKMZWHZKZXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(5-17-6-9)4-14-8(15)2-3-16-7-10(11,12)13/h2-7H2,1H3,(H,14,15).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 255.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 78956727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).