2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine

C14H23FN2 — CID 90315338

IUPAC2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESCCC(F)(CC)C1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C14H23FN2/c1-3-14(15,4-2)12-8-7-9-13(16-12)17-10-5-6-11-17/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyBXAFIMDBUGYRSR-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine

2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine (PubChem CID 90315338) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine
PubChem CID90315338
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESCCC(F)(CC)C1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C14H23FN2/c1-3-14(15,4-2)12-8-7-9-13(16-12)17-10-5-6-11-17/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyBXAFIMDBUGYRSR-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The IUPAC name of 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine (CID 90315338) is 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The canonical SMILES for 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine is CCC(F)(CC)C1C=CC=C(N2CCCC2)N1.
What is the InChIKey of 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The InChIKey is BXAFIMDBUGYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-14(15,4-2)12-8-7-9-13(16-12)17-10-5-6-11-17/h7-9,12,16H,3-6,10-11H2,1-2H3.
What are the key properties of 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine?
2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine has a molecular weight of 238.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropentan-3-yl)-6-pyrrolidin-1-yl-1,2-dihydropyridine is sourced from PubChem (CID 90315338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).