2-fluoro-3-propan-2-yl-1,2-dihydropyridine

C8H12FN — CID 144628803

IUPAC2-fluoro-3-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1F
InChIInChI=1S/C8H12FN/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8,10H,1-2H3
InChIKeyZCQVPWNEYGIAOV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.98
Rot. Bonds1

About 2-fluoro-3-propan-2-yl-1,2-dihydropyridine

2-fluoro-3-propan-2-yl-1,2-dihydropyridine (PubChem CID 144628803) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-3-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-3-propan-2-yl-1,2-dihydropyridine
PubChem CID144628803
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-3-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1F
InChIInChI=1S/C8H12FN/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8,10H,1-2H3
InChIKeyZCQVPWNEYGIAOV-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-di(propan-2-yl)-1,2-dihydropyridine
CID 121260753
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
3-methyl-1,2-dihydropyridin-2-ol
CID 89049434
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171
2-bromo-7-hydroxy-3-propan-2-ylcyclohepta-3,5-dien-1-one
CID 118155001
7-propan-2-yl-1H-azepin-2-amine
CID 174815984

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 2-fluoro-3-propan-2-yl-1,2-dihydropyridine (CID 144628803) is 2-fluoro-3-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-fluoro-3-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 2-fluoro-3-propan-2-yl-1,2-dihydropyridine is CC(C)C1=CC=CNC1F.
What is the InChIKey of 2-fluoro-3-propan-2-yl-1,2-dihydropyridine?
The InChIKey is ZCQVPWNEYGIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8,10H,1-2H3.
What are the key properties of 2-fluoro-3-propan-2-yl-1,2-dihydropyridine?
2-fluoro-3-propan-2-yl-1,2-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 144628803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).