(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C13H18F3NO — CID 169023706

IUPAC(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-9(2)10-3-7-17(8-4-10)11(18)12(5-6-12)13(14,15)16/h3,9H,4-8H2,1-2H3
InChIKeyHIUBOCPJAYWXAC-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.14
Rot. Bonds2

About (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 169023706) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID169023706
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-9(2)10-3-7-17(8-4-10)11(18)12(5-6-12)13(14,15)16/h3,9H,4-8H2,1-2H3
InChIKeyHIUBOCPJAYWXAC-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone 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 (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 169023706) is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)C1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is HIUBOCPJAYWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)10-3-7-17(8-4-10)11(18)12(5-6-12)13(14,15)16/h3,9H,4-8H2,1-2H3.
What are the key properties of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 261.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 169023706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).