1-(3,5-difluorophenyl)non-8-en-2-one

C15H18F2O — CID 107008185

IUPAC1-(3,5-difluorophenyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2O/c1-2-3-4-5-6-7-15(18)10-12-8-13(16)11-14(17)9-12/h2,8-9,11H,1,3-7,10H2
InChIKeySQMHBQZUIOSQLC-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.21
Rot. Bonds8

About 1-(3,5-difluorophenyl)non-8-en-2-one

1-(3,5-difluorophenyl)non-8-en-2-one (PubChem CID 107008185) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)non-8-en-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)non-8-en-2-one
PubChem CID107008185
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name1-(3,5-difluorophenyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2O/c1-2-3-4-5-6-7-15(18)10-12-8-13(16)11-14(17)9-12/h2,8-9,11H,1,3-7,10H2
InChIKeySQMHBQZUIOSQLC-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.21
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

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1-(3-bromophenyl)non-8-en-2-one
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1-(3,5-difluorophenyl)-5-methylhex-5-en-2-one
CID 114473505
8-amino-1-(3-bromo-5-fluorophenyl)octan-2-one
CID 116551438
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(3,5-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 105411897
1-(3,5-difluorophenyl)-5-methylhexan-2-one
CID 62619889
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
pentadec-14-en-7-one
CID 11528685

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)non-8-en-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)non-8-en-2-one (CID 107008185) is 1-(3,5-difluorophenyl)non-8-en-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)non-8-en-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)non-8-en-2-one is C=CCCCCCC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)non-8-en-2-one?
The InChIKey is SQMHBQZUIOSQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-2-3-4-5-6-7-15(18)10-12-8-13(16)11-14(17)9-12/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-(3,5-difluorophenyl)non-8-en-2-one?
1-(3,5-difluorophenyl)non-8-en-2-one has a molecular weight of 252.30 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)non-8-en-2-one is sourced from PubChem (CID 107008185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).