1-(5-fluoro-2-pyridinyl)oct-7-en-1-one

C13H16FNO — CID 107008319

IUPAC1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H16FNO/c1-2-3-4-5-6-7-13(16)12-9-8-11(14)10-15-12/h2,8-10H,1,3-7H2
InChIKeyWJQOGCTYACZSLM-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.54
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one

1-(5-fluoro-2-pyridinyl)oct-7-en-1-one (PubChem CID 107008319) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
PubChem CID107008319
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H16FNO/c1-2-3-4-5-6-7-13(16)12-9-8-11(14)10-15-12/h2,8-10H,1,3-7H2
InChIKeyWJQOGCTYACZSLM-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-pyridinyl)but-3-en-1-one
CID 70650260
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(1,2,5-thiadiazol-3-yl)oct-7-en-1-one
CID 107011091
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
CID 79723515
1-[5-fluoro-2-(trifluoromethyl)phenyl]oct-7-en-1-one
CID 107008348
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
CID 10950068
CID 10950068
1-(3-chloro-4-pyridinyl)oct-7-en-1-one
CID 107011107
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one (CID 107008319) is 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one is C=CCCCCCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one?
The InChIKey is WJQOGCTYACZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-3-4-5-6-7-13(16)12-9-8-11(14)10-15-12/h2,8-10H,1,3-7H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one?
1-(5-fluoro-2-pyridinyl)oct-7-en-1-one has a molecular weight of 221.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)oct-7-en-1-one is sourced from PubChem (CID 107008319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).