N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide

C9H14F3NO2 — CID 167134980

IUPACN-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(COC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(2)13-7(14)8(3-4-8)5-15-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVQOXJHPKCKPXPJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.83
Rot. Bonds4

About N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide

N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide (PubChem CID 167134980) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
PubChem CID167134980
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(COC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(2)13-7(14)8(3-4-8)5-15-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVQOXJHPKCKPXPJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide 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-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide (CID 167134980) is N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide is CC(C)NC(=O)C1(COC(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is VQOXJHPKCKPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(2)13-7(14)8(3-4-8)5-15-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide?
N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167134980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).