1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

C17H14F3NO2 — CID 11723571

IUPAC1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO2/c1-16(2)10-13(21-8-4-3-5-15(21)22)12-9-11(17(18,19)20)6-7-14(12)23-16/h3-10H,1-2H3
InChIKeyHQNBBZCTXQMYAE-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.93
Rot. Bonds1

About 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 11723571) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID11723571
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO2/c1-16(2)10-13(21-8-4-3-5-15(21)22)12-9-11(17(18,19)20)6-7-14(12)23-16/h3-10H,1-2H3
InChIKeyHQNBBZCTXQMYAE-UHFFFAOYSA-N
XLogP3.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (CID 11723571) is 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2O1.
What is the InChIKey of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is HQNBBZCTXQMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-16(2)10-13(21-8-4-3-5-15(21)22)12-9-11(17(18,19)20)6-7-14(12)23-16/h3-10H,1-2H3.
What are the key properties of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 321.30 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 11723571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).