1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one

C16H15F2NO2 — CID 67282255

IUPAC1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one
SMILESO=c1cc(C(F)F)n(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)13-8-14(20)15(9-19(13)12-6-7-12)21-10-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyTUHAJWOAROGGKS-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.70
Rot. Bonds5

About 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one

1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one (PubChem CID 67282255) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one
PubChem CID67282255
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one
SMILESO=c1cc(C(F)F)n(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)13-8-14(20)15(9-19(13)12-6-7-12)21-10-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyTUHAJWOAROGGKS-UHFFFAOYSA-N
XLogP3.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
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-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one (CID 67282255) is 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one is O=c1cc(C(F)F)n(C2CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one?
The InChIKey is TUHAJWOAROGGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18)13-8-14(20)15(9-19(13)12-6-7-12)21-10-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2.
What are the key properties of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one?
1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one has a molecular weight of 291.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 67282255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).