1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one

C18H18F3NO — CID 122403746

IUPAC1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESC=CC(CCCc1ccccc1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H18F3NO/c1-2-16(10-6-9-14-7-4-3-5-8-14)22-13-15(18(19,20)21)11-12-17(22)23/h2-5,7-8,11-13,16H,1,6,9-10H2
InChIKeyLANFRZDQQYUCHH-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.62
Rot. Bonds6

About 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one

1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 122403746) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID122403746
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESC=CC(CCCc1ccccc1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H18F3NO/c1-2-16(10-6-9-14-7-4-3-5-8-14)22-13-15(18(19,20)21)11-12-17(22)23/h2-5,7-8,11-13,16H,1,6,9-10H2
InChIKeyLANFRZDQQYUCHH-UHFFFAOYSA-N
XLogP4.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one (CID 122403746) is 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one is C=CC(CCCc1ccccc1)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LANFRZDQQYUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-2-16(10-6-9-14-7-4-3-5-8-14)22-13-15(18(19,20)21)11-12-17(22)23/h2-5,7-8,11-13,16H,1,6,9-10H2.
What are the key properties of 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one?
1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 321.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylhex-1-en-3-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 122403746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).