1,1,1-trifluoro-8-phenylnon-8-en-2-one

C15H17F3O — CID 14435912

IUPAC1,1,1-trifluoro-8-phenylnon-8-en-2-one
SMILESC=C(CCCCCC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H17F3O/c1-12(13-9-5-3-6-10-13)8-4-2-7-11-14(19)15(16,17)18/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKeyWVZPZCPNPCBIOY-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.78
Rot. Bonds7

About 1,1,1-trifluoro-8-phenylnon-8-en-2-one

1,1,1-trifluoro-8-phenylnon-8-en-2-one (PubChem CID 14435912) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-8-phenylnon-8-en-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-8-phenylnon-8-en-2-one
PubChem CID14435912
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name1,1,1-trifluoro-8-phenylnon-8-en-2-one
SMILESC=C(CCCCCC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H17F3O/c1-12(13-9-5-3-6-10-13)8-4-2-7-11-14(19)15(16,17)18/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKeyWVZPZCPNPCBIOY-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 177419469
ethyl 5-phenylhex-5-enoate
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1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene
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1,15-diphenylpentadecane-1,15-dione
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-8-phenylnon-8-en-2-one?
The IUPAC name of 1,1,1-trifluoro-8-phenylnon-8-en-2-one (CID 14435912) is 1,1,1-trifluoro-8-phenylnon-8-en-2-one.
What is the SMILES notation for 1,1,1-trifluoro-8-phenylnon-8-en-2-one?
The canonical SMILES for 1,1,1-trifluoro-8-phenylnon-8-en-2-one is C=C(CCCCCC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-8-phenylnon-8-en-2-one?
The InChIKey is WVZPZCPNPCBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O/c1-12(13-9-5-3-6-10-13)8-4-2-7-11-14(19)15(16,17)18/h3,5-6,9-10H,1-2,4,7-8,11H2.
What are the key properties of 1,1,1-trifluoro-8-phenylnon-8-en-2-one?
1,1,1-trifluoro-8-phenylnon-8-en-2-one has a molecular weight of 270.29 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-8-phenylnon-8-en-2-one is sourced from PubChem (CID 14435912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).