1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

C11H20FN — CID 131106328

IUPAC1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCCC(F)CN1CCC(C)=C(C)C1
InChIInChI=1S/C11H20FN/c1-4-11(12)8-13-6-5-9(2)10(3)7-13/h11H,4-8H2,1-3H3
InChIKeyDVELGEIMWSKBJG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 131106328) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID131106328
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCCC(F)CN1CCC(C)=C(C)C1
InChIInChI=1S/C11H20FN/c1-4-11(12)8-13-6-5-9(2)10(3)7-13/h11H,4-8H2,1-3H3
InChIKeyDVELGEIMWSKBJG-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
CID 134593961
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
4-fluoro-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 145304505

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (CID 131106328) is 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is CCC(F)CN1CCC(C)=C(C)C1.
What is the InChIKey of 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is DVELGEIMWSKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-11(12)8-13-6-5-9(2)10(3)7-13/h11H,4-8H2,1-3H3.
What are the key properties of 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).