1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one

C18H16F3NO4 — CID 14476367

IUPAC1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(C(=O)C(F)(F)F)cc2C(n2ccccc2=O)C1O
InChIInChI=1S/C18H16F3NO4/c1-17(2)16(25)14(22-8-4-3-5-13(22)23)11-9-10(6-7-12(11)26-17)15(24)18(19,20)21/h3-9,14,16,25H,1-2H3
InChIKeyGUXUQSFDHLOKCN-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.71
Rot. Bonds2

About 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one

1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one (PubChem CID 14476367) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
PubChem CID14476367
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(C(=O)C(F)(F)F)cc2C(n2ccccc2=O)C1O
InChIInChI=1S/C18H16F3NO4/c1-17(2)16(25)14(22-8-4-3-5-13(22)23)11-9-10(6-7-12(11)26-17)15(24)18(19,20)21/h3-9,14,16,25H,1-2H3
InChIKeyGUXUQSFDHLOKCN-UHFFFAOYSA-N
XLogP2.71
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one (CID 14476367) is 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one is CC1(C)Oc2ccc(C(=O)C(F)(F)F)cc2C(n2ccccc2=O)C1O.
What is the InChIKey of 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The InChIKey is GUXUQSFDHLOKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-17(2)16(25)14(22-8-4-3-5-13(22)23)11-9-10(6-7-12(11)26-17)15(24)18(19,20)21/h3-9,14,16,25H,1-2H3.
What are the key properties of 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one has a molecular weight of 367.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]pyridin-2-one is sourced from PubChem (CID 14476367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).