1-(4-fluorophenyl)oct-7-en-1-one

C14H17FO — CID 58518883

IUPAC1-(4-fluorophenyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccc([18F])cc1
InChIInChI=1S/C14H17FO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h2,8-11H,1,3-7H2/i15-1
InChIKeyWCTHDQYFULFVBN-HUYCHCPVSA-N
MW219.29 g/mol
LogP4.14
Rot. Bonds7

About 1-(4-fluorophenyl)oct-7-en-1-one

1-(4-fluorophenyl)oct-7-en-1-one (PubChem CID 58518883) has the molecular formula C14H17FO and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)oct-7-en-1-one
PubChem CID58518883
Molecular FormulaC14H17FO
Molecular Weight219.29 g/mol
Exact Mass219.13
IUPAC Name1-(4-fluorophenyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccc([18F])cc1
InChIInChI=1S/C14H17FO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h2,8-11H,1,3-7H2/i15-1
InChIKeyWCTHDQYFULFVBN-HUYCHCPVSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
CID 107008319
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(furan-3-yl)oct-7-en-1-one
CID 107008234
1-[5-fluoro-2-(trifluoromethyl)phenyl]oct-7-en-1-one
CID 107008348
1-(4-tert-butylphenyl)hex-5-en-1-one
CID 114974758
1-(4-amino-3-chlorophenyl)oct-7-en-1-one
CID 107010902
1-(4-amino-3-fluorophenyl)hex-5-en-1-one
CID 116547272
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
CID 10950068
CID 10950068
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)oct-7-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)oct-7-en-1-one (CID 58518883) is 1-(4-fluorophenyl)oct-7-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)oct-7-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)oct-7-en-1-one is C=CCCCCCC(=O)c1ccc([18F])cc1.
What is the InChIKey of 1-(4-fluorophenyl)oct-7-en-1-one?
The InChIKey is WCTHDQYFULFVBN-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H17FO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h2,8-11H,1,3-7H2/i15-1.
What are the key properties of 1-(4-fluorophenyl)oct-7-en-1-one?
1-(4-fluorophenyl)oct-7-en-1-one has a molecular weight of 219.29 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)oct-7-en-1-one is sourced from PubChem (CID 58518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).