1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one

C16H13F2NO2 — CID 151751876

IUPAC1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one
SMILESO=c1ccccn1C1=CC(CF)(CF)Oc2ccccc21
InChIInChI=1S/C16H13F2NO2/c17-10-16(11-18)9-13(19-8-4-3-7-15(19)20)12-5-1-2-6-14(12)21-16/h1-9H,10-11H2
InChIKeyROSPJQYPJHSLNK-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.81
Rot. Bonds3

About 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one

1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 151751876) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID151751876
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one
SMILESO=c1ccccn1C1=CC(CF)(CF)Oc2ccccc21
InChIInChI=1S/C16H13F2NO2/c17-10-16(11-18)9-13(19-8-4-3-7-15(19)20)12-5-1-2-6-14(12)21-16/h1-9H,10-11H2
InChIKeyROSPJQYPJHSLNK-UHFFFAOYSA-N
XLogP2.81
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one (CID 151751876) is 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one is O=c1ccccn1C1=CC(CF)(CF)Oc2ccccc21.
What is the InChIKey of 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is ROSPJQYPJHSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-10-16(11-18)9-13(19-8-4-3-7-15(19)20)12-5-1-2-6-14(12)21-16/h1-9H,10-11H2.
What are the key properties of 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one?
1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 289.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(fluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 151751876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).