2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine

C11H18FN — CID 170274335

IUPAC2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
SMILESCC(C)CC1=CN=C(C(C)F)CC1
InChIInChI=1S/C11H18FN/c1-8(2)6-10-4-5-11(9(3)12)13-7-10/h7-9H,4-6H2,1-3H3
InChIKeyRVVACFLLHLSVGN-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.51
Rot. Bonds3

About 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine

2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine (PubChem CID 170274335) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
PubChem CID170274335
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
SMILESCC(C)CC1=CN=C(C(C)F)CC1
InChIInChI=1S/C11H18FN/c1-8(2)6-10-4-5-11(9(3)12)13-7-10/h7-9H,4-6H2,1-3H3
InChIKeyRVVACFLLHLSVGN-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine 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 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine?
The IUPAC name of 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine (CID 170274335) is 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine is CC(C)CC1=CN=C(C(C)F)CC1.
What is the InChIKey of 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine?
The InChIKey is RVVACFLLHLSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)6-10-4-5-11(9(3)12)13-7-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine?
2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine has a molecular weight of 183.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine is sourced from PubChem (CID 170274335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).