1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone

C10H8F4N2O2 — CID 172563341

IUPAC1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone
SMILESO=C(c1cc(OC2CC(F)(F)C2)ncn1)C(F)F
InChIInChI=1S/C10H8F4N2O2/c11-9(12)8(17)6-1-7(16-4-15-6)18-5-2-10(13,14)3-5/h1,4-5,9H,2-3H2
InChIKeyWAJLWKKJILKOKK-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.10
Rot. Bonds4

About 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone

1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone (PubChem CID 172563341) has the molecular formula C10H8F4N2O2 and a molecular weight of 264.18 g/mol. Its IUPAC name is 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone
PubChem CID172563341
Molecular FormulaC10H8F4N2O2
Molecular Weight264.18 g/mol
Exact Mass264.05
IUPAC Name1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone
SMILESO=C(c1cc(OC2CC(F)(F)C2)ncn1)C(F)F
InChIInChI=1S/C10H8F4N2O2/c11-9(12)8(17)6-1-7(16-4-15-6)18-5-2-10(13,14)3-5/h1,4-5,9H,2-3H2
InChIKeyWAJLWKKJILKOKK-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone (CID 172563341) is 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone is O=C(c1cc(OC2CC(F)(F)C2)ncn1)C(F)F.
What is the InChIKey of 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone?
The InChIKey is WAJLWKKJILKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2/c11-9(12)8(17)6-1-7(16-4-15-6)18-5-2-10(13,14)3-5/h1,4-5,9H,2-3H2.
What are the key properties of 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone?
1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone has a molecular weight of 264.18 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-2,2-difluoroethanone is sourced from PubChem (CID 172563341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).