2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine

C11H20FN — CID 141419508

IUPAC2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine
SMILESCC(C)(F)CC1NC=CCC1(C)C
InChIInChI=1S/C11H20FN/c1-10(2)6-5-7-13-9(10)8-11(3,4)12/h5,7,9,13H,6,8H2,1-4H3
InChIKeyQJLLFACGYIISNA-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine

2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine (PubChem CID 141419508) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine
PubChem CID141419508
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine
SMILESCC(C)(F)CC1NC=CCC1(C)C
InChIInChI=1S/C11H20FN/c1-10(2)6-5-7-13-9(10)8-11(3,4)12/h5,7,9,13H,6,8H2,1-4H3
InChIKeyQJLLFACGYIISNA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine?
The IUPAC name of 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine (CID 141419508) is 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine.
What is the SMILES notation for 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine?
The canonical SMILES for 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine is CC(C)(F)CC1NC=CCC1(C)C.
What is the InChIKey of 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine?
The InChIKey is QJLLFACGYIISNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2)6-5-7-13-9(10)8-11(3,4)12/h5,7,9,13H,6,8H2,1-4H3.
What are the key properties of 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine?
2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine is sourced from PubChem (CID 141419508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).