(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C16H20F3NO — CID 102707627

IUPAC(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1CCC(C(=O)c2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO/c1-2-3-11-4-6-12(7-5-11)15(21)13-10-20-9-8-14(13)16(17,18)19/h8-12H,2-7H2,1H3
InChIKeyQVLPMVJZPJNCBB-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.89
Rot. Bonds4

About (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707627) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707627
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1CCC(C(=O)c2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO/c1-2-3-11-4-6-12(7-5-11)15(21)13-10-20-9-8-14(13)16(17,18)19/h8-12H,2-7H2,1H3
InChIKeyQVLPMVJZPJNCBB-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81244619
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 126497105
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709361
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707627) is (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is CCCC1CCC(C(=O)c2cnccc2C(F)(F)F)CC1.
What is the InChIKey of (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is QVLPMVJZPJNCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-2-3-11-4-6-12(7-5-11)15(21)13-10-20-9-8-14(13)16(17,18)19/h8-12H,2-7H2,1H3.
What are the key properties of (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 299.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).