4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C9H12F2N2O2 — CID 103241909

IUPAC4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F2N2O2/c1-5(2)9-12-7(14)3-8(13-9)15-4-6(10)11/h3,5-6H,4H2,1-2H3,(H,12,13,14)
InChIKeyMZJFSXOKODHCGB-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.54
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241909) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241909
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F2N2O2/c1-5(2)9-12-7(14)3-8(13-9)15-4-6(10)11/h3,5-6H,4H2,1-2H3,(H,12,13,14)
InChIKeyMZJFSXOKODHCGB-UHFFFAOYSA-N
XLogP1.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-[ethoxy(2,2,2-trifluoroethoxy)phosphinothioyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 13933736
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
4-methoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 69908735
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241790
4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
CID 139637763
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146606
4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146607
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241909) is 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MZJFSXOKODHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-5(2)9-12-7(14)3-8(13-9)15-4-6(10)11/h3,5-6H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 218.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).