6-butan-2-yl-2-fluoro-1,2-dihydropyridine

C9H14FN — CID 175623362

IUPAC6-butan-2-yl-2-fluoro-1,2-dihydropyridine
SMILESCCC(C)C1=CC=CC(F)N1
InChIInChI=1S/C9H14FN/c1-3-7(2)8-5-4-6-9(10)11-8/h4-7,9,11H,3H2,1-2H3
InChIKeyWKCORDOFVBSPMI-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.37
Rot. Bonds2

About 6-butan-2-yl-2-fluoro-1,2-dihydropyridine

6-butan-2-yl-2-fluoro-1,2-dihydropyridine (PubChem CID 175623362) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 6-butan-2-yl-2-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name6-butan-2-yl-2-fluoro-1,2-dihydropyridine
PubChem CID175623362
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name6-butan-2-yl-2-fluoro-1,2-dihydropyridine
SMILESCCC(C)C1=CC=CC(F)N1
InChIInChI=1S/C9H14FN/c1-3-7(2)8-5-4-6-9(10)11-8/h4-7,9,11H,3H2,1-2H3
InChIKeyWKCORDOFVBSPMI-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.37
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

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5-ethyl-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
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N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
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4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
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(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol
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5-fluoro-2-methyl-2,4-dihydro-1H-indole
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N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-fluoro-1,2-dihydropyridine?
The IUPAC name of 6-butan-2-yl-2-fluoro-1,2-dihydropyridine (CID 175623362) is 6-butan-2-yl-2-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 6-butan-2-yl-2-fluoro-1,2-dihydropyridine?
The canonical SMILES for 6-butan-2-yl-2-fluoro-1,2-dihydropyridine is CCC(C)C1=CC=CC(F)N1.
What is the InChIKey of 6-butan-2-yl-2-fluoro-1,2-dihydropyridine?
The InChIKey is WKCORDOFVBSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-3-7(2)8-5-4-6-9(10)11-8/h4-7,9,11H,3H2,1-2H3.
What are the key properties of 6-butan-2-yl-2-fluoro-1,2-dihydropyridine?
6-butan-2-yl-2-fluoro-1,2-dihydropyridine has a molecular weight of 155.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 175623362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).