1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one

C16H16F3NO2 — CID 154837682

IUPAC1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Oc1cccc(Cn2cccc(C(F)(F)F)c2=O)c1
InChIInChI=1S/C16H16F3NO2/c1-11(2)22-13-6-3-5-12(9-13)10-20-8-4-7-14(15(20)21)16(17,18)19/h3-9,11H,10H2,1-2H3
InChIKeyMAOJBPIJWABWCX-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.70
Rot. Bonds4

About 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 154837682) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID154837682
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Oc1cccc(Cn2cccc(C(F)(F)F)c2=O)c1
InChIInChI=1S/C16H16F3NO2/c1-11(2)22-13-6-3-5-12(9-13)10-20-8-4-7-14(15(20)21)16(17,18)19/h3-9,11H,10H2,1-2H3
InChIKeyMAOJBPIJWABWCX-UHFFFAOYSA-N
XLogP3.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 154837682) is 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one is CC(C)Oc1cccc(Cn2cccc(C(F)(F)F)c2=O)c1.
What is the InChIKey of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is MAOJBPIJWABWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-11(2)22-13-6-3-5-12(9-13)10-20-8-4-7-14(15(20)21)16(17,18)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 311.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 154837682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).