1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine

C8H12FN — CID 146499175

IUPAC1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESF/C=C/CN1CC=CCC1
InChIInChI=1S/C8H12FN/c9-5-4-8-10-6-2-1-3-7-10/h1-2,4-5H,3,6-8H2/b5-4+
InChIKeyNPHXLKYEFIVNCE-SNAWJCMRSA-N
MW141.19 g/mol
LogP1.73
Rot. Bonds2

About 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine

1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 146499175) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine
PubChem CID146499175
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESF/C=C/CN1CC=CCC1
InChIInChI=1S/C8H12FN/c9-5-4-8-10-6-2-1-3-7-10/h1-2,4-5H,3,6-8H2/b5-4+
InChIKeyNPHXLKYEFIVNCE-SNAWJCMRSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.73
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-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
Pyridine, 1,2,5,6-tetrahydro-1-allyl-, hydrobromide
CID 3056837
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866
Pyridine, 1,2,3,6-tetrahydro-1-(2-propenyl)-
CID 3056838
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine (CID 146499175) is 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine is F/C=C/CN1CC=CCC1.
What is the InChIKey of 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is NPHXLKYEFIVNCE-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12FN/c9-5-4-8-10-6-2-1-3-7-10/h1-2,4-5H,3,6-8H2/b5-4+.
What are the key properties of 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine?
1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 141.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146499175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).