6-fluoro-2-propan-2-yl-3,4-dihydropyridine

C8H12FN — CID 143745481

IUPAC6-fluoro-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(F)=CCC1
InChIInChI=1S/C8H12FN/c1-6(2)7-4-3-5-8(9)10-7/h5-6H,3-4H2,1-2H3
InChIKeyHYVIOMYFJASMQX-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.69
Rot. Bonds1

About 6-fluoro-2-propan-2-yl-3,4-dihydropyridine

6-fluoro-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 143745481) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-2-propan-2-yl-3,4-dihydropyridine
PubChem CID143745481
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-fluoro-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(F)=CCC1
InChIInChI=1S/C8H12FN/c1-6(2)7-4-3-5-8(9)10-7/h5-6H,3-4H2,1-2H3
InChIKeyHYVIOMYFJASMQX-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Butan-2-yl-6-fluoro-3-methyl-3,4-dihydropyridine
CID 138581069
(Z)-N-(1-fluoroethenyl)-4-methylpent-1-en-3-imine
CID 142378559
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
Ethane;6-fluoro-2-methyl-3,4-dihydropyridine
CID 145516053

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-fluoro-2-propan-2-yl-3,4-dihydropyridine (CID 143745481) is 6-fluoro-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-fluoro-2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC(F)=CCC1.
What is the InChIKey of 6-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is HYVIOMYFJASMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7-4-3-5-8(9)10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-yl-3,4-dihydropyridine?
6-fluoro-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 143745481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).