6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C6H3F5N2O — CID 98041975

IUPAC6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C6H3F5N2O/c7-4(8)2-1-3(6(9,10)11)13-5(14)12-2/h1,4H,(H,12,13,14)
InChIKeyKFTMDVHYONMGJB-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.73
Rot. Bonds1

About 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 98041975) has the molecular formula C6H3F5N2O and a molecular weight of 214.09 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID98041975
Molecular FormulaC6H3F5N2O
Molecular Weight214.09 g/mol
Exact Mass214.02
IUPAC Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C6H3F5N2O/c7-4(8)2-1-3(6(9,10)11)13-5(14)12-2/h1,4H,(H,12,13,14)
InChIKeyKFTMDVHYONMGJB-UHFFFAOYSA-N
XLogP1.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 98041975) is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(C(F)(F)F)cc(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is KFTMDVHYONMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O/c7-4(8)2-1-3(6(9,10)11)13-5(14)12-2/h1,4H,(H,12,13,14).
What are the key properties of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 214.09 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 98041975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).