5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine

C14H18FN — CID 143931828

IUPAC5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
SMILESCC1C=C(CC2C=CCC(F)=CC2)C=NC1
InChIInChI=1S/C14H18FN/c1-11-7-13(10-16-9-11)8-12-3-2-4-14(15)6-5-12/h2-3,6-7,10-12H,4-5,8-9H2,1H3
InChIKeyUIOBTKACGNCYGW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.84
Rot. Bonds2

About 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine

5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine (PubChem CID 143931828) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
PubChem CID143931828
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
SMILESCC1C=C(CC2C=CCC(F)=CC2)C=NC1
InChIInChI=1S/C14H18FN/c1-11-7-13(10-16-9-11)8-12-3-2-4-14(15)6-5-12/h2-3,6-7,10-12H,4-5,8-9H2,1H3
InChIKeyUIOBTKACGNCYGW-UHFFFAOYSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.84
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

4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
CID 144096701
N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
CID 155724042
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
(Z)-N-methyl-2-(2-methylpropyl)pent-2-en-1-imine
CID 90701519
N,4-dimethyloct-6-en-1-imine
CID 91168305
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine?
The IUPAC name of 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine (CID 143931828) is 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine is CC1C=C(CC2C=CCC(F)=CC2)C=NC1.
What is the InChIKey of 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine?
The InChIKey is UIOBTKACGNCYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-11-7-13(10-16-9-11)8-12-3-2-4-14(15)6-5-12/h2-3,6-7,10-12H,4-5,8-9H2,1H3.
What are the key properties of 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine?
5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine has a molecular weight of 219.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 143931828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).